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2-Heptanone, 6-methyl-
SpectraBase Compound ID ELxN5i9eQE3
InChI InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
InChIKey DPLGXGDPPMLJHN-UHFFFAOYSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H16O
Exact Mass 128.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WVAOM4DF2c
Name 2-Heptanone, 6-methyl-
Alternate Name(s) 2-Methyl-6-heptanone 6-Methyl-2-heptanone 6-Methylheptan-2-one Methyl isohexyl ketone EINECS 213-179-7 NSC 39665
CAS Registry Number 928-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O
InChI InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
InChIKey DPLGXGDPPMLJHN-UHFFFAOYSA-N
Molecular Weight 128.215 g/mol
SMILES CC(CCCC(C)=O)C
SPLASH splash10-052f-9000000000-48c2212d6e3b22bc5608
Source of Spectrum ST-0-3-0
Wiley ID 5334