| SpectraBase Compound ID | Itm1fj2KJBR |
|---|---|
| InChI | InChI=1S/C39H54/c1-31(21-16-22-33(3)26-28-37-35(5)24-18-30-39(37,8)9)19-14-12-10-11-13-15-20-32(2)25-27-36-34(4)23-17-29-38(36,6)7/h10-16,19-22,25-28H,17-18,23-24,29-30H2,1-9H3/b11-10+,14-12+,15-13+,21-16+,27-25+,28-26+,31-19+,32-20+,33-22+ |
| InChIKey | KVFYHCFDCDMVSU-RMPMMLOOSA-N |
| Mol Weight | 522.9 g/mol |
| Molecular Formula | C39H54 |
| Exact Mass | 522.422552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L1DyWxvYWfs |
|---|---|
| Name | 12-nor-.beta.,.beta-Carotene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 522.422551739 u |
| Formula | C39H54 |
| InChI | InChI=1S/C39H54/c1-31(21-16-22-33(3)26-28-37-35(5)24-18-30-39(37,8)9)19-14-12-10-11-13-15-20-32(2)25-27-36-34(4)23-17-29-38(36,6)7/h10-16,19-22,25-28H,17-18,23-24,29-30H2,1-9H3/b11-10+,14-12+,15-13+,21-16+,27-25+,28-26+,31-19+,32-20+,33-22+ |
| InChIKey | KVFYHCFDCDMVSU-RMPMMLOOSA-N |
| Molecular Weight | 522.861 g/mol |
| SMILES | C1(\C=C\C(=C\C=C\C=C\C=C\C=C\(\C=C\C=C\(\C=C\C2=C(CCCC2(C)C)C)C)C)C)=C(CCCC1(C)C)C |