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chemie koeln_RUB/Chloroform-D1 (CDCl3)
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Molecule | 60004995 |
Chemical name(s) | butyl acrylate; Butyl prop-2-enoate
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Chemical formula | C7H12O2 |
Molecular weight | 128.169 |
Number of double bond equivalents (DBEs) | 2.0 |
Number of all rings, size of smallest set of smallest rings | 0, 0 |
Canonical name(s) |
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CAS-Number |
141-32-2
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Additional information |
Links from Unichem: eMolecules;ChEBI (Chemical Entities of Biological Interest).;KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEMBL;ACToR;FDA/USP Substance Registration System (SRS);PubChem ('Thomson Pharma' su... (truncated)
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Molecule keywords | |
DOI | 10.18716/nmrshiftdb2/60004995 |
13C Spectrum | 60004157
Rating: 9 (9: 9: nmrshiftdb2 quality check: accept/reliability: excellent (admin)) |
Type | 13C |
Measurement conditions
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Temperature [K] | 298 |
Solvent | Chloroform-D1 (CDCl3) |
Field Strength [MHz] | 37.5 |
Assignment Method | 1H, 1H, H,H-COSY, H,C-HSQC, 1H, 1H |
Literature |
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Additional comments | Data from Ruhr University Bochum, Laboratory Prof. R. Stoll |
nmrshiftdb2 quality report |
Download
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Additional information |
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Spectrum categories | chemie koeln;RUB |
Type: H,H-COSY 600.1300048828125
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Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
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6
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1.34 |
7
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0.88 |
5
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1.59 |
6
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1.34 |
4
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4.09 |
5
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1.59 |
2
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6.32 |
3
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6.05 |
2
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6.32 |
2
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5.74 |
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Show spectrum in full size
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Type: H,C-HSQC 600.1300048828125
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Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Shift |
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7
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0.88 |
12.59 |
6
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1.34 |
18.15 |
5
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1.59 |
29.68 |
4
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4.09 |
63.28 |
2
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5.74 |
129.35 |
3
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6.05 |
127.49 |
2
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6.32 |
129.35 |
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Show spectrum in full size
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Report incorrect data
Copy dataset link
DOI for this dataset: 10.18716/nmrshiftdb2/60004995/chemie_koeln_rub_cdcl3
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