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2-Methyl-3-hexanone
SpectraBase Compound ID 4JNkyzSffA5
InChI InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3
InChIKey HIGGFWFRAWSMBR-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0NHfKODFIG
Name 3-Hexanone, 2-methyl-
CAS Registry Number 7379-12-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3
InChIKey HIGGFWFRAWSMBR-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES CC(C)C(=O)CCC
SPLASH splash10-0006-9000000000-36f5704c0db76d389afb
Source of Spectrum NW-125-0-0
Synonyms 2-Methylhexan-3-one Isopropyl propyl ketone Propyl isopropyl ketone AI3-28328 BRN 1699041 EINECS 230-940-9
Wiley ID 1124669