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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 9MklCSYwryr
Name 1-PENTANONE, 1-(4-METHYLPHENYL)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Exact Mass 176.120115134 u
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
Nominal Mass 176 u
Number of Peaks 38
SMILES Cc1ccc(C(CCCC)=O)cc1
SPLASH splash10-014i-3900000000-f8a67b69f4420137c3c6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX_000941