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2-(2-oxocyclohex-1-yl)cyclohepta-3,5-dien-1-one
SpectraBase Compound ID 5evz4MTRkZC
InChI InChI=1S/C13H16O2/c14-12-8-3-1-2-6-10(12)11-7-4-5-9-13(11)15/h1-3,6,10-11H,4-5,7-9H2
InChIKey OLTRAXUXGAFRCH-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hQpZFzU8u7
Name 2-(2-oxocyclohex-1-yl)cyclohepta-3,5-dien-1-one
CAS Registry Number 115912-65-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c14-12-8-3-1-2-6-10(12)11-7-4-5-9-13(11)15/h1-3,6,10-11H,4-5,7-9H2
InChIKey OLTRAXUXGAFRCH-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1(C2C(=O)CCCC2)C(=O)CC=CC=C1
SPLASH splash10-0a4i-9400000000-87ad979cb73449ac6c2a
Source of Spectrum J-53-4597-0
Synonyms 2-(2-oxocyclohexyl)-3,5-cycloheptadien-1-one
Wiley ID 1202094