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4'-methylvalerophenone
SpectraBase Compound ID s1i7Xwea0i
InChI InChI=1S/C12H16O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3
InChIKey BCVCZJADTSTKNH-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 AMLrjHZMaI8
Name 1-(4-Methylphenyl)-1-pentanone
CAS Registry Number 1671-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3
InChIKey BCVCZJADTSTKNH-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES CCCCC(=O)c1ccc(C)cc1
SPLASH splash10-014i-3900000000-f776758404f81a841a92
Source of Spectrum VC-1981-967-0
Synonyms 1-(4-Methylphenyl)pentan-1-one 1-(p-tolyl)pentan-1-one 1-Pentanone, 1-(4-methylphenyl)- 4'-Methylvalerophenone 4-Methyl-1-pentanoylbenzene EINECS 216-804-1
Wiley ID 1172620