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Cycloheptanone
SpectraBase Compound ID CSim3R6VmMi
InChI InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
InChIKey CGZZMOTZOONQIA-UHFFFAOYSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dAKZJOmHI
Name Cycloheptanone
CAS Registry Number 502-42-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
InChIKey CGZZMOTZOONQIA-UHFFFAOYSA-N
Molecular Weight 112.172 g/mol
SMILES C1(=O)CCCCCC1
SPLASH splash10-0aou-9000000000-4cf1d6a39cf1fd2d08ff
Source of Spectrum HE-1982-0-0
Synonyms Cycloheptanon Ketocycloheptane Ketoheptamethylene Suberon Suberone AI3-09538 EINECS 207-937-6 HSDB 2819 NSC 9471
Wiley ID 1123373