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(alpha-S)-alpha-Methoxy-alpha-(trifluoromethyl)benzeneacetic acid (1S)-1-{2-[4-(Phenylmethoxy)phenyl]ethyl}-but-3-en-1-yl Ester
SpectraBase Compound ID 8XGzx0XkWde
InChI InChI=1S/C29H29F3O4/c1-3-10-26(36-27(33)28(34-2,29(30,31)32)24-13-8-5-9-14-24)20-17-22-15-18-25(19-16-22)35-21-23-11-6-4-7-12-23/h3-9,11-16,18-19,26H,1,10,17,20-21H2,2H3/t26-,28+/m1/s1
InChIKey CYTIEVNOUXWQQJ-IAPPQJPRSA-N
Mol Weight 498.54 g/mol
Molecular Formula C29H29F3O4
Exact Mass 498.201794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dhYVnQ1Z4c
Name (alpha-S)-alpha-Methoxy-alpha-(trifluoromethyl)benzeneacetic acid (1S)-1-{2-[4-(Phenylmethoxy)phenyl]ethyl}-but-3-en-1-yl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29F3O4
InChI InChI=1S/C29H29F3O4/c1-3-10-26(36-27(33)28(34-2,29(30,31)32)24-13-8-5-9-14-24)20-17-22-15-18-25(19-16-22)35-21-23-11-6-4-7-12-23/h3-9,11-16,18-19,26H,1,10,17,20-21H2,2H3/t26-,28+/m1/s1
InChIKey CYTIEVNOUXWQQJ-IAPPQJPRSA-N
Literature Reference DOI 10.1002/hlca.201000096
Molecular Weight 498.542 g/mol
SMILES C(c1ccc(cc1)OCc1ccccc1)C[C@@](CC=C)(OC(=O)[C@](OC)(C(F)(F)F)c1ccccc1)[H]
SPLASH splash10-0006-9100000000-b4c9822afdc2337fb46b
Source of Spectrum H-93-1291-9
Synonyms (3S)-1-[4-(Benzyloxy)phenyl]hex-5-en-3-yl (2S)-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoate (S)-1-(4-(benzyloxy)phenyl)hex-5-en-3-yl (S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Wiley ID 1783999