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3-Methylcycloheptanone
SpectraBase Compound ID 6AxioarxWLK
InChI InChI=1S/C8H14O/c1-7-4-2-3-5-8(9)6-7/h7H,2-6H2,1H3
InChIKey GSYFDULLCGVSNJ-UHFFFAOYSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCVhG3Nf94o
Name CYCLOHEPTANONE, 3-METHYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-7-4-2-3-5-8(9)6-7/h7H,2-6H2,1H3
InChIKey GSYFDULLCGVSNJ-UHFFFAOYSA-N
Instrument Name 8200
Molecular Weight 126.1041
SMILES C1CC(=O)CC(C)CC1
SPLASH splash10-067l-9000000000-e6e5f2593210df253b41
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany