![16-Bromo-3,7,11,15-tetramethyl-9-[(4'-methylphenyl)sulfonyl]hexadeca-2,6,10,14-tetraen-1-yl acetate](/api/spectrum/KGjZV3VXkZm/structure.png?h=300&w=458 "16-Bromo-3,7,11,15-tetramethyl-9-[(4'-methylphenyl)sulfonyl]hexadeca-2,6,10,14-tetraen-1-yl acetate")
| SpectraBase Compound ID | JppTfBJVhFv |
|---|---|
| InChI | InChI=1S/C29H41BrO4S/c1-22(17-18-34-27(6)31)9-7-10-24(3)19-29(20-25(4)11-8-12-26(5)21-30)35(32,33)28-15-13-23(2)14-16-28/h10,12-17,20,29H,7-9,11,18-19,21H2,1-6H3/b22-17+,24-10+,25-20+,26-12+ |
| InChIKey | SPTOLFJLLYRYQU-QXMJPZPBSA-N |
| Mol Weight | 565.6 g/mol |
| Molecular Formula | C29H41BrO4S |
| Exact Mass | 564.190894 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KGjZV3VXkZm |
|---|---|
| Name | 16-Bromo-3,7,11,15-tetramethyl-9-[(4'-methylphenyl)sulfonyl]hexadeca-2,6,10,14-tetraen-1-yl Acetate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H41BrO4S |
| InChI | InChI=1S/C29H41BrO4S/c1-22(17-18-34-27(6)31)9-7-10-24(3)19-29(20-25(4)11-8-12-26(5)21-30)35(32,33)28-15-13-23(2)14-16-28/h10,12-17,20,29H,7-9,11,18-19,21H2,1-6H3/b22-17+,24-10+,25-20+,26-12+ |
| InChIKey | SPTOLFJLLYRYQU-QXMJPZPBSA-N |
| Molecular Weight | 565.607 g/mol |
| SMILES | C(S(c1ccc(cc1)C)(=O)=O)(\C=C\(CC\C=C\(CBr)C)C)C\C(=C\CC\C(=C\COC(=O)C)C)C |
| SPLASH | splash10-0005-9022000000-5de8083fb72647632e28 |
| Source of Spectrum | H-91-1972-2 |
| Synonyms | Acetic acid [(2E,6E,10E,14E)-16-bromo-3,7,11,15-tetramethyl-9-(4-methylphenyl)sulfonylhexadeca-2,6,10,14-tetraenyl] ester [(2E,6E,10E,14E)-16-bromo-3,7,11,15-tetramethyl-9-(4-methylphenyl)sulfonylhexadeca-2,6,10,14-tetraenyl] acetate [(2E,6E,10E,14E)-16-bromo-3,7,11,15-tetramethyl-9-(p-tolylsulfonyl)hexadeca-2,6,10,14-tetraenyl] acetate [(2E,6E,10E,14E)-16-bromanyl-3,7,11,15-tetramethyl-9-(4-methylphenyl)sulfonyl-hexadeca-2,6,10,14-tetraenyl] ethanoate |
| Wiley ID | 1693460 |