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2-Hexylcycloheptanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Hexylcycloheptanone
SpectraBase Compound ID KuSwnMLeWvd
InChI InChI=1S/C13H24O/c1-2-3-4-6-9-12-10-7-5-8-11-13(12)14/h12H,2-11H2,1H3
InChIKey YRXKAXHMMOGFSO-UHFFFAOYSA-N
Mol Weight 196.33 g/mol
Molecular Formula C13H24O
Exact Mass 196.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWDLXF6sjuF
Name 2-Hexylcycloheptanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O
InChI InChI=1S/C13H24O/c1-2-3-4-6-9-12-10-7-5-8-11-13(12)14/h12H,2-11H2,1H3
InChIKey YRXKAXHMMOGFSO-UHFFFAOYSA-N
Molecular Weight 196.334 g/mol
SMILES C1(=O)C(CCCCCC)CCCCC1
SPLASH splash10-03di-0900000000-f38ee3e0fef175c63696
Source of Spectrum KC-0-88-9
Synonyms 2-hexyl-1-cycloheptanone
Wiley ID 775870