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5-Methyl-3-hexanone
SpectraBase Compound ID 70X6vmGKLxm
InChI InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKey DXVYLFHTJZWTRF-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 24ro12nYwHO
Name 3-Hexanone, 5-methyl-
CAS Registry Number 623-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKey DXVYLFHTJZWTRF-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES CCC(=O)CC(C)C
SPLASH splash10-0a4i-9000000000-2a8db225e877307a1fb2
Source of Spectrum NP-0-4146-0
Synonyms 2-Methyl-4-hexanone 5-Methylhexan-3-one 5-Methyl-3-hexanone Ethyl isobutyl ketone Isobutyl ethyl ketone EINECS 210-801-9
Wiley ID 1095573