| SpectraBase Compound ID | 251pAxR3u7I |
|---|---|
| InChI | InChI=1S/C40H58/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/h13-14,17-22,25-28H,11-12,15-16,23-24,29-30H2,1-10H3/b19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | MZFUCCXRKZISLZ-AYPYYXBOSA-N |
| Mol Weight | 538.9 g/mol |
| Molecular Formula | C40H58 |
| Exact Mass | 538.453852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UuP5Wkhqff |
|---|---|
| Name | 15,15'-Dihydro-.beta.,.beta-carotene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 538.453851868 u |
| Formula | C40H58 |
| InChI | InChI=1S/C40H58/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/h13-14,17-22,25-28H,11-12,15-16,23-24,29-30H2,1-10H3/b19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | MZFUCCXRKZISLZ-AYPYYXBOSA-N |
| Molecular Weight | 538.904 g/mol |
| SMILES | C1(\C=C\C(=C\C=C\C(=C\CC\C=C\(\C=C\C=C\(\C=C\C2=C(CCCC2(C)C)C)C)C)C)C)=C(CCCC1(C)C)C |