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3-cyclohepten-1-one, 3,7-dimethyl-

View entire compound with spectra: 1 MS (GC)

3-cyclohepten-1-one, 3,7-dimethyl-
SpectraBase Compound ID 3936nJe1mJE
InChI InChI=1S/C9H14O/c1-7-4-3-5-8(2)9(10)6-7/h4,8H,3,5-6H2,1-2H3
InChIKey VPWFUZGHRJEWJO-UHFFFAOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwbWaW1dFQe
Name 3-cyclohepten-1-one, 3,7-dimethyl-
CAS Registry Number 125302-56-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O
InChI InChI=1S/C9H14O/c1-7-4-3-5-8(2)9(10)6-7/h4,8H,3,5-6H2,1-2H3
InChIKey VPWFUZGHRJEWJO-UHFFFAOYSA-N
Molecular Weight 138.210 g/mol
SMILES C1(CC(=CCCC1C)C)=O
SPLASH splash10-02ti-9700000000-ed7de2d4a8cf735880e2
Source of Spectrum J-55-1957-5
Synonyms 3,7-Dimethyl-3-cyclohepten-1-one
Wiley ID 1138198