| SpectraBase Compound ID | 5sxo57j3aqV |
|---|---|
| InChI | InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | OENHQHLEOONYIE-JLTXGRSLSA-N |
| Mol Weight | 536.9 g/mol |
| Molecular Formula | C40H56 |
| Exact Mass | 536.438202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vOm5hfOXSS |
|---|---|
| Name | .beta.-Carotene |
| CAS Registry Number | 7235-40-7 |
| Comments | reassigned |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H56 |
| InChI | InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | OENHQHLEOONYIE-JLTXGRSLSA-N |
| Instrument Name | Special |
| Literature Reference | D.E. Dorman, M. Jautelat, J.D. Roberts, J. Org. Chem. 36, 2757 (1971). |
| NMR Standard | CS2 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Cyclohexane |