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(S)-3-(4-methylbenzyl)isobenzofuran-1(3H)-one
SpectraBase Compound ID A7iLIfKdWrH
InChI InChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)10-15-13-4-2-3-5-14(13)16(17)18-15/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKey HCBJASZKVAAQES-HNNXBMFYSA-N
Mol Weight 238.29 g/mol
Molecular Formula C16H14O2
Exact Mass 238.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmylEwzdu7u
Name (S)-3-(4-methylbenzyl)isobenzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O2
InChI InChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)10-15-13-4-2-3-5-14(13)16(17)18-15/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKey HCBJASZKVAAQES-HNNXBMFYSA-N
Literature Reference DOI 10.1021/ol901674k
Molecular Weight 238.286 g/mol
SMILES c1cc2C(O[C@@](Cc3ccc(cc3)C)(c2cc1)[H])=O
SPLASH splash10-0a4i-1900000000-eb6741f95362322eb019
Source of Spectrum A1-11-4712/SM16-2g
Synonyms (3S)-3-[(4-methylphenyl)methyl]-3H-isobenzofuran-1-one (3S)-3-(p-tolylmethyl)-3H-isobenzofuran-1-one (3S)-3-[(4-methylphenyl)methyl]-3H-2-benzofuran-1-one
Wiley ID 1757428