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2,4,6-Cycloheptatrien-1-one, 3-butyl-
SpectraBase Compound ID 7Xc9AsqKSbk
InChI InChI=1S/C11H14O/c1-2-3-6-10-7-4-5-8-11(12)9-10/h4-5,7-9H,2-3,6H2,1H3
InChIKey IHUBMBMJASQXKH-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 6P8qiSCkwym
Name 2,4,6-Cycloheptatrien-1-one, 3-butyl-
Alternate Name(s) 3-Butyl-2,4,6-cycloheptatrien-1-one
CAS Registry Number 103724-24-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O
InChI InChI=1S/C11H14O/c1-2-3-6-10-7-4-5-8-11(12)9-10/h4-5,7-9H,2-3,6H2,1H3
InChIKey IHUBMBMJASQXKH-UHFFFAOYSA-N
Molecular Weight 162.232 g/mol
SMILES C1=C(C=CC=CC1=O)CCCC
SPLASH splash10-0006-9000000000-1bd133a90fbe06bba5b3
Source of Spectrum KC-1985-2286-15
Wiley ID 1158991