| SpectraBase Compound ID | 3Xa2gPaTtFf |
|---|---|
| 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-BVZAMQQESA-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 | 17Szx35gFjc |
|---|---|
| Name | 9-CIS-BETA-CAROTENE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-BVZAMQQESA-N |
| Literature Reference Author | W.J.EBENEZER,G.PATTENDEN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1869(1993) |
| Literature Reference DOI | 10.1039/p19930001869 |
| Molecular Weight | 536.885 g/mol |
| Solvent | Unknown |
| Source File Reference | UWCP1585 |