| SpectraBase Spectrum ID |
JuB0TEYl8Wm |
| Name |
6-Methyl-1-fluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-yl benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.150843999 u |
| Formula |
C22H25FO3S |
| InChI |
InChI=1S/C22H25FO3S/c1-16(2)9-14-21(27(25)19-12-10-17(3)11-13-19)20(15-23)26-22(24)18-7-5-4-6-8-18/h4-13,20-21H,14-15H2,1-3H3 |
| InChIKey |
ZRPRXZJMHABQEL-UHFFFAOYSA-N |
| Molecular Weight |
388.497 g/mol |
| SMILES |
C(S(C=1C=CC(=CC1)C)=O)(C(OC(=O)C1=CC=CC=C1)CF)CC=C(C)C |
![6-Methyl-1-fluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-yl benzoate](/api/spectrum/JuB0TEYl8Wm/structure.png?h=300&w=458 "6-Methyl-1-fluoro-3-[(4'-methylphenyl)sulfinyl]hept-5-en-2-yl benzoate")
