| SpectraBase Compound ID | KS2SDHO6a0t |
|---|---|
| InChI | InChI=1S/C40H56O2/c1-13-40(12)37(38(7,8)9)29-36(41-42-40)34(6)24-17-23-31(3)20-15-14-19-30(2)21-16-22-32(4)26-27-35-33(5)25-18-28-39(35,10)11/h13-17,19-24,26-27,29,36H,1,18,25,28H2,2-12H3/b15-14+,21-16+,23-17+,27-26+,30-19+,31-20+,32-22+,34-24+ |
| InChIKey | RMEMKUSUGAQHHC-XWRUCVPYSA-N |
| Mol Weight | 568.9 g/mol |
| Molecular Formula | C40H56O2 |
| Exact Mass | 568.428031 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J79OvoN9AYU |
|---|---|
| Name | .beta.-carotene-5,8-endoperoxide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O2 |
| InChI | InChI=1S/C40H56O2/c1-13-40(12)37(38(7,8)9)29-36(41-42-40)34(6)24-17-23-31(3)20-15-14-19-30(2)21-16-22-32(4)26-27-35-33(5)25-18-28-39(35,10)11/h13-17,19-24,26-27,29,36H,1,18,25,28H2,2-12H3/b15-14+,21-16+,23-17+,27-26+,30-19+,31-20+,32-22+,34-24+ |
| InChIKey | RMEMKUSUGAQHHC-XWRUCVPYSA-N |
| Molecular Weight | 568.886 g/mol |
| SMILES | C1(=CC(\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)OOC1(C=C)C)C(C)(C)C |
| SPLASH | splash10-014i-0900170000-1e36f8f774518c0e55b6 |
| Source of Spectrum | CRT-6-543-5 |
| Wiley ID | 1702684 |