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4-Phenyl-3-hydroxymethyl-2-butanone
SpectraBase Compound ID EU5gTeb0TjH
InChI InChI=1S/C11H14O2/c1-9(13)11(8-12)7-10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
InChIKey QIEPEXBZWZNCAY-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 1ufXEsnnv1t
Name 3-(hydroxymethyl)-4-phenyl-2-butanone
Alternate Name(s) 3-(hydroxymethyl)-4-phenyl-butan-2-one 3-Benzyl-4-hydroxy-butan-2-one
CAS Registry Number 127841-27-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-9(13)11(8-12)7-10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
InChIKey QIEPEXBZWZNCAY-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES OCC(C(=O)C)Cc1ccccc1
SPLASH splash10-014m-4900000000-ea46fcd463e8c64179d5
Source of Spectrum C-112-6974-18
Wiley ID 1174379