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(3RS,4RS)-4-hydroxy-3-methyl-4-phenylbutan-2-one
SpectraBase Compound ID FV1uXix8Dgb
InChI InChI=1S/C11H14O2/c1-8(9(2)12)11(13)10-6-4-3-5-7-10/h3-8,11,13H,1-2H3
InChIKey PSMPCPHOQAAKLW-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVibvIieQoM
Name (3RS,4RS)-4-hydroxy-3-methyl-4-phenylbutan-2-one
CAS Registry Number 114431-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-8(9(2)12)11(13)10-6-4-3-5-7-10/h3-8,11,13H,1-2H3
InChIKey PSMPCPHOQAAKLW-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES OC(C(C(=O)C)C)c1ccccc1
SPLASH splash10-0a4i-0900000000-93866f0685140542499e
Source of Spectrum F-45-1015-26
Synonyms 3-Methyl-4-oxidanyl-4-phenyl-butan-2-one 4-Hydroxy-3-methyl-4-phenyl-2-butanone 4-Hydroxy-3-methyl-4-phenylbutan-2-one 4-Hydroxy-3-methyl-4-phenyl-butan-2-one
Wiley ID 1174307