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3-Methylcyclooctanone
SpectraBase Compound ID FVRmsVlmEbY
InChI InChI=1S/C9H16O/c1-8-5-3-2-4-6-9(10)7-8/h8H,2-7H2,1H3
InChIKey HNEQUAAFVQKBFI-UHFFFAOYSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37lUBOf8swI
Name 3-Methylcyclooctanone
Alternate Name(s) 3-Methylcyclooctan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-8-5-3-2-4-6-9(10)7-8/h8H,2-7H2,1H3
InChIKey HNEQUAAFVQKBFI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19941270823
Molecular Weight 140.226 g/mol
SMILES C1(CC(CCCCC1)C)=O
SPLASH splash10-066r-9000000000-60e56cec7f1a4f93a701
Source of Spectrum K-127-1492-26
Wiley ID 1792374