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3-Methylcycloheptanone

View entire compound with spectra: 3 NMR, and 4 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GI8ZJij7gjo
Name 3-METHYLCYCLOHEPTANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author M.CHRISTL,J.D.ROBERTS
Literature Reference Citation J.ORG.CHEM.,37,3443(1972)
Literature Reference DOI 10.1021/jo00795a014
Molecular Weight 126.199 g/mol
Solvent DIOXANE
Source File Reference UNIW13965