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(S)-3-(4-(trifluoromethyl)benzyl)isobenzofuran-1(3H)-one
SpectraBase Compound ID Lfwjth4jtOD
InChI InChI=1S/C16H11F3O2/c17-16(18,19)11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(20)21-14/h1-8,14H,9H2/t14-/m0/s1
InChIKey FGKPCKPSELTPLQ-AWEZNQCLSA-N
Mol Weight 292.26 g/mol
Molecular Formula C16H11F3O2
Exact Mass 292.071114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pxZDw7DISd
Name (S)-3-(4-(trifluoromethyl)benzyl)isobenzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F3O2
InChI InChI=1S/C16H11F3O2/c17-16(18,19)11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(20)21-14/h1-8,14H,9H2/t14-/m0/s1
InChIKey FGKPCKPSELTPLQ-AWEZNQCLSA-N
Literature Reference DOI 10.1021/ol901674k
Molecular Weight 292.257 g/mol
SMILES c1ccc2c(c1)C(=O)O[C@]2(Cc1ccc(cc1)C(F)(F)F)[H]
SPLASH splash10-001i-1900000000-a7367ed713ee4f41396d
Source of Spectrum A1-11-4712/SM19-2j
Synonyms (3S)-3-[[4-(trifluoromethyl)phenyl]methyl]-3H-isobenzofuran-1-one (3S)-3-[[4-(trifluoromethyl)phenyl]methyl]-3H-2-benzofuran-1-one
Wiley ID 1757431