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3'-methylbutyrophnone
SpectraBase Compound ID DiWlhrhBZQP
InChI InChI=1S/C11H14O/c1-3-5-11(12)10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
InChIKey HFIOTNXMNPDTLO-UHFFFAOYSA-N
Mol Weight 162.23 g/mol
Molecular Formula C11H14O
Exact Mass 162.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1O6k7EJIPU
Name 1-m-Tolylbutan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O
InChI InChI=1S/C11H14O/c1-3-5-11(12)10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
InChIKey HFIOTNXMNPDTLO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200404z
Molecular Weight 162.232 g/mol
SMILES c1(cc(C(CCC)=O)ccc1)C
SPLASH splash10-014i-4900000000-db76fc15546c87d4cddf
Source of Spectrum A1-13-2184/SMS8-11
Synonyms 1-(m-tolyl)butan-1-one 1-(3-Methylphenyl)-1-butanone 1-(3-Methylphenyl)butan-1-one
Wiley ID 1753126