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3-Heptanone, 2-methyl-
SpectraBase Compound ID JWTPKovkuNv
InChI InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey XYYMFUCZDNNGFS-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 B0TkrjuanHU
Name 3-Heptanone, 2-methyl-
CAS Registry Number 13019-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O
InChI InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey XYYMFUCZDNNGFS-UHFFFAOYSA-N
Molecular Weight 128.215 g/mol
SMILES CC(C(=O)CCCC)C
SPLASH splash10-054x-9000000000-87b5ab24ab8d672a3d7d
Source of Spectrum AA-0-569-2
Synonyms 2-Methyl-3-heptanone 2-Methyl-heptan-3-one 2-Methylheptanone-(3) EINECS 235-877-0 NSC 21978
Wiley ID 1131600