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(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

View entire compound with spectra: 1 MS (GC)

(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
SpectraBase Compound ID 6AMAKkDZa6z
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
Mol Weight 516.6 g/mol
Molecular Formula C26H35F3O7
Exact Mass 516.233488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zTnSab4Fy2
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
Alternate Name(s) 6-[(5Z)-5-(3-methoxy-3-oxopropylidene)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methylhexyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CAS Registry Number 97911-47-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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)(c1ccccc1)OC
SPLASH splash10-054t-3920020000-163ba84741beec9368a9
Source of Spectrum AJ-58-2147-5
Wiley ID 1401392