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(1S,3S)-(+-)-Benzyl 2-{2-methyl-3-[4-(trifluoromethyl)benzoyl]cyclopropyl}acetate
SpectraBase Compound ID D09LLhZALeH
InChI InChI=1S/C21H19F3O3/c1-13-17(11-18(25)27-12-14-5-3-2-4-6-14)19(13)20(26)15-7-9-16(10-8-15)21(22,23)24/h2-10,13,17,19H,11-12H2,1H3/t13?,17-,19-/m0/s1
InChIKey KJYDXAKHKOBDDW-LNXOFFIKSA-N
Mol Weight 376.38 g/mol
Molecular Formula C21H19F3O3
Exact Mass 376.128629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Xx5iwpyhGX
Name (1S,3S)-(+-)-Benzyl 2-{2-methyl-3-[4-(trifluoromethyl)benzoyl]cyclopropyl}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19F3O3
InChI InChI=1S/C21H19F3O3/c1-13-17(11-18(25)27-12-14-5-3-2-4-6-14)19(13)20(26)15-7-9-16(10-8-15)21(22,23)24/h2-10,13,17,19H,11-12H2,1H3/t13?,17-,19-/m0/s1
InChIKey KJYDXAKHKOBDDW-LNXOFFIKSA-N
Molecular Weight 376.375 g/mol
SMILES [C@@]1([C@@](CC(=O)OCc2ccccc2)(C1C)[H])(C(c1ccc(C(F)(F)F)cc1)=O)[H]
SPLASH splash10-0006-9410000000-b094eabc3e3f99c609fb
Source of Spectrum J-65-5544-8
Synonyms benzyl {(1S,3S)-2-methyl-3-[4-(trifluoromethyl)benzoyl]cyclopropyl}acetate trans-(+-)-Benzyl 2-{2-methyl-3-[4-(trifluoromethyl)benzoyl]cyclopropyl}acetate
Wiley ID 1533081