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2-Methylcycloheptanone
SpectraBase Compound ID 3MeRzrx4cT7
InChI InChI=1S/C8H14O/c1-7-5-3-2-4-6-8(7)9/h7H,2-6H2,1H3
InChIKey FDMAFOTXGNYBFG-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 3gBNUfdKr2
Name 2-Methylcycloheptanone
Appearance Colorless viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-7-5-3-2-4-6-8(7)9/h7H,2-6H2,1H3
InChIKey FDMAFOTXGNYBFG-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00148
Molecular Weight 126.199 g/mol
SMILES CC1C(CCCCC1)=O
SPLASH splash10-0a5d-9000000000-19a1325e4b4e7732c24b
Source of Spectrum JOC-86-SM70-3(5)
Wiley ID 1867761