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4-methylvalerophenone
SpectraBase Compound ID BGqpX4zYi0s
InChI InChI=1S/C12H16O/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey WRJZDDJYWWJLIS-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1LHcSvybcb
Name 4-Methyl-1-phenyl-1-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey WRJZDDJYWWJLIS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cssc.201300815
Molecular Weight 176.259 g/mol
SMILES C(CCC(C)C)(=O)c1ccccc1
SPLASH splash10-0ab9-2900000000-d2a3b1b50454cd52db15
Source of Spectrum CSC-7-105/SM5-SM5_2
Synonyms 4-Methyl-1-phenylpentan-1-one
Wiley ID 1787391