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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 Aap8bszeHlc
Name Cycloheptanone, 3-methyl-, (R)-
CAS Registry Number 13609-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 126.199 g/mol
SMILES C1CCC(CC(=O)C1)C
SPLASH splash10-05mo-9000000000-f1b18044bcbd917100b9
Source of Spectrum SD-1981-0-0
Synonyms 3-Methylcycloheptanone 3-Methyl-1-cycloheptanone 3-Methylcycloheptan-1-one Cycloheptanone, 3-methyl- Cycloheptanone, 3-methyl-, (+)-
Wiley ID 1130211