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2-Propanone, 1-(2,3,4-trimethylphenyl)-
SpectraBase Compound ID Cudlh9rUHbW
InChI InChI=1S/C12H16O/c1-8-5-6-12(7-9(2)13)11(4)10(8)3/h5-6H,7H2,1-4H3
InChIKey XGMFNDOKTBJBSX-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 4q5IR00YBH1
Name 2-Propanone, 1-(2,3,4-trimethylphenyl)-
Alternate Name(s) 1-(2,3,4-Trimethylphenyl)acetone 1-(2,3,4-trimethylphenyl)-2-propanone
CAS Registry Number 64394-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-8-5-6-12(7-9(2)13)11(4)10(8)3/h5-6H,7H2,1-4H3
InChIKey XGMFNDOKTBJBSX-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES c1(c(CC(=O)C)ccc(c1C)C)C
SPLASH splash10-001i-0900000000-da1ba58bec5882465618
Source of Spectrum H-60-1776-0
Wiley ID 1172629