| SpectraBase Spectrum ID |
GLljPHXJfpH |
| Name |
16-Bromo-3,7,11,15-tetramethyl-9-[(4'-methylphenyl)sulfonyl]hexadeca-2,6,10,14-tetraen-1-yl acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
564.190893970 u |
| 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(C=1C=CC(=CC1)C)(=O)=O)(\C=C\(CC\C=C\(CBr)C)C)C\C(=C\CC\C(=C\COC(=O)C)C)C |
![16-Bromo-3,7,11,15-tetramethyl-9-[(4'-methylphenyl)sulfonyl]hexadeca-2,6,10,14-tetraen-1-yl acetate](/api/spectrum/GLljPHXJfpH/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")
