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WEMKQGKAHVHEDK-UHFFFAOYSA-N
SpectraBase Compound ID DBOsI2P4yco
InChI InChI=1S/C9H16O/c1-7(2)5-6-9(10)8(3)4/h5,8H,6H2,1-4H3
InChIKey WEMKQGKAHVHEDK-UHFFFAOYSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ewDfEyEB5H
Name 5-Hepten-3-one, 2,6-dimethyl-
Alternate Name(s) 2,6-Dimethyl-5-hepten-3-one 2,6-dimethylhept-5-en-3-one
CAS Registry Number 5782-75-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-7(2)5-6-9(10)8(3)4/h5,8H,6H2,1-4H3
InChIKey WEMKQGKAHVHEDK-UHFFFAOYSA-N
Molecular Weight 140.226 g/mol
SMILES C(CC(=O)C(C)C)=C(C)C
SPLASH splash10-00di-9100000000-686724744930f9afd222
Source of Spectrum J-67-3005-19
Wiley ID 1569701