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5H-Benzocyclohepten-5-one, 1,2,3,4,6,7,8,9-octahydro-
SpectraBase Compound ID IJUr9qgk44B
InChI InChI=1S/C11H16O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1-8H2
InChIKey VLPDAAWZDKAZGX-UHFFFAOYSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6n2mkY0aACg
Name 5H-Benzocyclohepten-5-one, 1,2,3,4,6,7,8,9-octahydro-
Alternate Name(s) 1,2,3,4,6,7,8,9-octahydro-5H-benzo[a]cyclohepten-5-one Bicyclo[5.4.0]undec-1(7)-en-2-one
CAS Registry Number 27332-61-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1-8H2
InChIKey VLPDAAWZDKAZGX-UHFFFAOYSA-N
Molecular Weight 164.248 g/mol
SMILES C12=C(CCCCC2=O)CCCC1
SPLASH splash10-03di-0900000000-7c73333bcf2f7b94fb42
Source of Spectrum C-99-3777-0
Wiley ID 1160811