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4-Methylcycloheptanone

View entire compound with spectra: 3 NMR, and 1 MS (GC)

4-Methylcycloheptanone
SpectraBase Compound ID AbisVu6QBQx
InChI InChI=1S/C8H14O/c1-7-3-2-4-8(9)6-5-7/h7H,2-6H2,1H3
InChIKey WXVNSHRGPVHBPD-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 6OaH7Y9Q4vf
Name Cycloheptanone, 4-methyl-, (R)-
CAS Registry Number 13609-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-7-3-2-4-8(9)6-5-7/h7H,2-6H2,1H3
InChIKey WXVNSHRGPVHBPD-UHFFFAOYSA-N
Molecular Weight 126.199 g/mol
SMILES CC1CCC(=O)CCC1
SPLASH splash10-052f-9000000000-895c4e2d218cc43b5bc6
Source of Spectrum SD-1981-0-0
Synonyms 4-Methylcycloheptanone 4-Methyl-1-cycloheptanone 4-Methylcycloheptan-1-one Cycloheptanone, 4-methyl-, (-)-
Wiley ID 1130212