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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 5Xp5STjFf4L
Name Cycloheptanone, 3-methyl-, (R)-
Alternate Name(s) 3-Methylcycloheptanone 3-Methyl-1-cycloheptanone 3-Methylcycloheptan-1-one Cycloheptanone, 3-methyl- Cycloheptanone, 3-methyl-, (+)-
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 C1(CC(CCCC1)C)=O
SPLASH splash10-015a-9100000000-3e2079415229cdfabaae
Source of Spectrum F-51-11762-19
Wiley ID 793933