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General   chemie koeln_RUB/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Molecule
60004995
Chemical name(s)butyl acrylate; Butyl prop-2-enoate
Chemical formulaC7H12O2
Molecular weight128.169
Number of double bond equivalents (DBEs)2.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
CAS-Number 141-32-2
Additional information
Links from Unichem: ChEMBL;KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;ZINC;eMolecules;IBM strategic IP insight platform and the National Institutes of Health;F... (truncated)
Molecule keywords
DOI10.18716/nmrshiftdb2/60004995
13C Spectrum
60004157 Rating: 9 (9: 9: nmrshiftdb2 quality check: accept/reliability: excellent (admin))
Type13C
Measurement conditions
Temperature [K]298
SolventChloroform-D1 (CDCl3)
Field Strength [MHz]37.5
Assignment Method1H, 1H, H,H-COSY, H,C-HSQC, 1H, 1H
Literature
Additional commentsData from Ruhr University Bochum, Laboratory Prof. R. Stoll
nmrshiftdb2 quality report Download
Additional information
Spectrum categorieschemie koeln;RUB



Spectral Data   Additional Data   Download  
Type: H,H-COSY 600.1300048828125
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
6 1.34 7 0.88
5 1.59 6 1.34
4 4.09 5 1.59
2 6.32 3 6.05
2 6.32 2 5.74

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 600.1300048828125
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Shift
7 0.88 12.59
6 1.34 18.15
5 1.59 29.68
4 4.09 63.28
2 5.74 129.35
3 6.05 127.49
2 6.32 129.35

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DOI for this dataset: 10.18716/nmrshiftdb2/60004995/chemie_koeln_rub_cdcl3
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