| SpectraBase Compound ID | 8b8naDG7fwE |
|---|---|
| InChI | InChI=1S/C27H38O4S/c1-21(2)12-10-13-22(3)18-26(32(29,30)25-16-8-7-9-17-25)19-23(4)14-11-15-24(5)20-27(28)31-6/h7-9,12,14,16-18,20,26H,10-11,13,15,19H2,1-6H3/b22-18+,23-14+,24-20+ |
| InChIKey | HMFVXJVBBCCPTR-HQVVGEQISA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C27H38O4S |
| Exact Mass | 458.249081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LaVqYrw0XWJ |
|---|---|
| Name | 2,6,10,14-Hexadecatetraenoic acid, 3,7,11,15-tetramethyl-9-(phenylsulfonyl)-, methyl ester, (E,E,E)- |
| CAS Registry Number | 74367-17-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O4S |
| InChI | InChI=1S/C27H38O4S/c1-21(2)12-10-13-22(3)18-26(32(29,30)25-16-8-7-9-17-25)19-23(4)14-11-15-24(5)20-27(28)31-6/h7-9,12,14,16-18,20,26H,10-11,13,15,19H2,1-6H3/b22-18+,23-14+,24-20+ |
| InChIKey | HMFVXJVBBCCPTR-HQVVGEQISA-N |
| Molecular Weight | 458.657 g/mol |
| SMILES | COC(=O)\C=C/(C)CC\C=C/(C)CC(\C=C/(C)CCC=C(C)C)S(=O)(=O)c1ccccc1 |
| SPLASH | splash10-0a4u-6900000000-b993e223aa8ea2ada7e3 |
| Source of Spectrum | W5-35760-29776-29776 |
| Synonyms | Methyl (2E,6E,10E)-3,7,11,15-tetramethyl-9-(phenylsulfonyl)-2,6,10,14-hexadecatetraenoate (2E,6E,10E)-9-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid methyl ester (2E,6E,10E)-9-besyl-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenoic acid methyl ester Methyl (2E,6E,10E)-3,7,11,15-tetramethyl-9-(phenylsulfonyl)hexadeca-2,6,10,14-tetraenoate Methyl (2E,6E,10E)-9-(benzenesulfonyl)-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenoate |
| Wiley ID | 1389922 |