| SpectraBase Spectrum ID |
8kAYa9O2ne6 |
| Name |
(S)-(-)-benzeneacetic acid, .alpha.-methoxy-,.alpha.-(trifluoromethyl)-, 6-[5-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-1-methylhexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.233487949 u |
| Formula |
C26H35F3O7 |
| InChI |
InChI=1S/C26H35F3O7/c1-18(34-23(31)25(33-5,26(27,28)29)19-13-9-7-10-14-19)12-8-6-11-15-20-21(16-17-22(30)32-4)36-24(2,3)35-20/h7,9-10,13-14,16,18,20H,6,8,11-12,15,17H2,1-5H3/b21-16- |
| InChIKey |
UVDVQPZDYFCRNT-PGMHBOJBSA-N |
| Molecular Weight |
516.554 g/mol |
| SMILES |
C(C(OC(CCCCCC1\C(OC(O1)(C)C)=C\CC(=O)OC)C)=O)(C(F)(F)F)(C=1C=CC=CC1)OC |
