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1-(2-Methylphenyl)pentan-1-one
SpectraBase Compound ID DCtcU3a4kPt
InChI InChI=1S/C12H16O/c1-3-4-9-12(13)11-8-6-5-7-10(11)2/h5-8H,3-4,9H2,1-2H3
InChIKey BCMBDNBMSRGBHF-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 DmoR4c5tTzP
Name 1-(2-Methylphenyl)pentan-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-3-4-9-12(13)11-8-6-5-7-10(11)2/h5-8H,3-4,9H2,1-2H3
InChIKey BCMBDNBMSRGBHF-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES c1(C(=O)CCCC)c(C)cccc1
SPLASH splash10-014i-0900000000-0eb2d4e858c7449d3aa5
Source of Spectrum SO-0-278-14
Synonyms 1-(2-Methylphenyl)-1-pentanone 1-(o-tolyl)pentan-1-one
Wiley ID 877337