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5-Methylcycloheptane-1,4-dione
SpectraBase Compound ID FhGHIFdlp8o
InChI InChI=1S/C8H12O2/c1-6-2-3-7(9)4-5-8(6)10/h6H,2-5H2,1H3
InChIKey FJQDFDXKAMKPAQ-UHFFFAOYSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CbOgLkGm
Name 5-Methylcycloheptane-1,4-dione
CAS Registry Number 60203-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-6-2-3-7(9)4-5-8(6)10/h6H,2-5H2,1H3
InChIKey FJQDFDXKAMKPAQ-UHFFFAOYSA-N
Molecular Weight 140.182 g/mol
SMILES C1(=O)C(CCC(CC1)=O)C
SPLASH splash10-0a6s-9100000000-645f7d192a281932cd50
Source of Spectrum F-32-2404-0
Synonyms 1,4-Cycloheptanedione, 5-methyl-
Wiley ID 1139330