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Benzeneacetic acid, .alpha.-methoxy-.alpha.-(trifluoromethyl)-, 2-methyl-4-phenylbutyl ester, [R-(R*,S*)]-
SpectraBase Compound ID Bjbxs8tVBn1
InChI InChI=1S/C21H23F3O3/c1-16(13-14-17-9-5-3-6-10-17)15-27-19(25)20(26-2,21(22,23)24)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3/t16-,20+/m0/s1
InChIKey VCGVVBAMKNWFPJ-OXJNMPFZSA-N
Mol Weight 380.41 g/mol
Molecular Formula C21H23F3O3
Exact Mass 380.159929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IDNfFLN6SJ
Name Benzeneacetic acid, .alpha.-methoxy-.alpha.-(trifluoromethyl)-, 2-methyl-4-phenylbutyl ester, [R-(R*,S*)]-
CAS Registry Number 70319-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23F3O3
InChI InChI=1S/C21H23F3O3/c1-16(13-14-17-9-5-3-6-10-17)15-27-19(25)20(26-2,21(22,23)24)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3/t16-,20+/m0/s1
InChIKey VCGVVBAMKNWFPJ-OXJNMPFZSA-N
Molecular Weight 380.407 g/mol
SMILES [C@](C(F)(F)F)(C(OC[C@](CCc1ccccc1)(C)[H])=O)(c1ccccc1)OC
SPLASH splash10-0006-8900000000-78f53e28cadaf703ddce
Source of Spectrum H-62-58-0
Synonyms (2S)-2-methyl-4-phenylbutyl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate .alpha.-methoxy-.alpha.-trifluoromethylphenylacetic acid 2-methyl-4-phenylbutyl ester (racemic)
Wiley ID 1359715