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Details
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Molecule | 10016513 |
Chemical name(s) | Azulene; Bicyclo[5.3.0]decapentaene
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Chemical formula | C10H8 |
Molecular weight | 128.171 |
Number of double bond equivalents (DBEs) | 7.0 |
Number of all rings, size of smallest set of smallest rings | 3, 2 |
Canonical name(s) |
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CAS-Number |
275-51-4
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Additional information |
wikidata;
NCI Database;
ChEBI;
Links from Unichem: ChEMBL;Human Metabolome Database (HMDB);SureChEMBL;Mcule;Nikkaji;MedChemExpress;EPA (Environmental Protection Agency) CompTox Dashboard;ZINC;MolPort;Brenda;Metabolights;ChemicalBook;PubChem Compounds;... (truncated)
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Molecule keywords | |
DOI | 10.18716/nmrshiftdb2/10016513 |
13C Spectrum | 60004135
Rating: 5 (1: 1: nmrshiftdb2 quality check: reject/reliability: excellent (admin), 10: Symmetric shifts not given (shk3)) |
Type | 13C |
Measurement conditions
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Temperature [K] | 298 |
Solvent | Chloroform-D1 (CDCl3) |
Field Strength [MHz] | 100.0 |
Assignment Method | 1H, 1H, H,H-COSY, H,C-HSQC, H,C-HMBC |
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 | RUB |
Type: H,H-COSY 400.1300048828125
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Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
|
2
|
7.09 |
3
|
8.28 |
2
|
7.09 |
1
|
7.51 |
8
|
7.33 |
9
|
7.84 |
1
|
7.51 |
3
|
8.28 |
|
Show spectrum in full size
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Type: H,C-HSQC 400.1300048828125
|
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Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Shift |
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2
|
7.09 |
122.69 |
8
|
7.33 |
117.74 |
1
|
7.51 |
137.22 |
9
|
7.84 |
136.97 |
3
|
8.28 |
136.51 |
|
Show spectrum in full size
|
Type: H,C-HMBC 400.1300048828125
|
|
Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Atom |
Shift |
|
2
|
7.09 |
4
|
140.01 |
2
|
7.09 |
2
|
122.69 |
8
|
7.33 |
4
|
140.01 |
8
|
7.33 |
3
|
136.51 |
1
|
7.51 |
3
|
136.51 |
9
|
7.84 |
8
|
117.74 |
9
|
7.84 |
4
|
140.01 |
3
|
8.28 |
8
|
117.74 |
3
|
8.28 |
4
|
140.01 |
3
|
8.28 |
1
|
137.22 |
|
Show spectrum in full size
|
Report incorrect data
Copy dataset link
DOI for this dataset: 10.18716/nmrshiftdb2/10016513/rub_cdcl3
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