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3,3-Dimethyl-1-(2-methylphenyl)butan-1-one
SpectraBase Compound ID 99FFjd20ZQz
InChI InChI=1S/C13H18O/c1-10-7-5-6-8-11(10)12(14)9-13(2,3)4/h5-8H,9H2,1-4H3
InChIKey VMITUSFJYSOWOE-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 GjDpd1yqf97
Name 3,3-Dimethyl-1-(2-methylphenyl)butan-1-one
Appearance Clear oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-10-7-5-6-8-11(10)12(14)9-13(2,3)4/h5-8H,9H2,1-4H3
InChIKey VMITUSFJYSOWOE-UHFFFAOYSA-N
Instrument Name Agilent Technologies 6890N-5973 Network
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900633
Molecular Weight 190.286 g/mol
Reported Formula C13H18O
SMILES CC(CC(=O)c1c(cccc1)C)(C)C
SPLASH splash10-014i-2900000000-bbc353b00ffa3dbeda7b
Source of Spectrum ASC-361-4524-5c
Wiley ID 1836689