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Threo-2-(Hydroxy-4'-methylphenylmethyl)-1-phenylbutan-1-one
SpectraBase Compound ID Go9a9DZkv5Q
InChI InChI=1S/C18H20O2/c1-3-16(17(19)14-7-5-4-6-8-14)18(20)15-11-9-13(2)10-12-15/h4-12,16,18,20H,3H2,1-2H3/t16-,18+/m0/s1
InChIKey XATMEVLKTOVYGV-FUHWJXTLSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRAZ7YORzbJ
Name Threo-2-(Hydroxy-4'-methylphenylmethyl)-1-phenylbutan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-3-16(17(19)14-7-5-4-6-8-14)18(20)15-11-9-13(2)10-12-15/h4-12,16,18,20H,3H2,1-2H3/t16-,18+/m0/s1
InChIKey XATMEVLKTOVYGV-FUHWJXTLSA-N
Literature Reference DOI 10.1002_1615-4169(200206)344_3-4_283
Molecular Weight 268.356 g/mol
SMILES O[C@@]([C@](C(c1ccccc1)=O)(CC)[H])(c1ccc(cc1)C)[H]
SPLASH splash10-05mk-2920000000-d10772182ac954659e0b
Source of Spectrum ASC-344-286-anti_5b
Synonyms (R)-2-((S)-hydroxy(p-tolyl)methyl)-1-phenylbutan-1-one (2R)-2-[(S)-hydroxy-(4-methylphenyl)methyl]-1-phenyl-1-butanone (2R)-2-[(S)-hydroxy-(4-methylphenyl)methyl]-1-phenylbutan-1-one (2R)-2-[(S)-(4-methylphenyl)-oxidanyl-methyl]-1-phenyl-butan-1-one
Wiley ID 1767179