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3-Pentanone, 2-(2,3-dimethylphenyl)-
SpectraBase Compound ID DIIWLo1UYQ8
InChI InChI=1S/C13H18O/c1-5-13(14)11(4)12-8-6-7-9(2)10(12)3/h6-8,11H,5H2,1-4H3
InChIKey KKZARDIGIFYUCV-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FsHvC0KiKJ
Name 3-Pentanone, 2-(2,3-dimethylphenyl)-
CAS Registry Number 64394-36-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-5-13(14)11(4)12-8-6-7-9(2)10(12)3/h6-8,11H,5H2,1-4H3
InChIKey KKZARDIGIFYUCV-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES c1(c(c(C)ccc1)C)C(C(=O)CC)C
SPLASH splash10-001i-0900000000-0b673083080317dac596
Source of Spectrum H-60-1776-0
Synonyms 2-(2'-3'-dimethylphenyl)-3-pentanone and 2-(3',4'-dimethylphenyl)-3-pentanone 2-(2,3-Dimethylphenyl)-3-pentanone
Wiley ID 1186917