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2,5-Dimethyl-3-hexanone
SpectraBase Compound ID HpslnQSmhqx
InChI InChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h6-7H,5H2,1-4H3
InChIKey TUIWMHDSXJWXOH-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 AGRMkxzeVEl
Name 3-Hexanone, 2,5-dimethyl-
CAS Registry Number 1888-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O
InChI InChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h6-7H,5H2,1-4H3
InChIKey TUIWMHDSXJWXOH-UHFFFAOYSA-N
Molecular Weight 128.215 g/mol
SMILES CC(CC(=O)C(C)C)C
SPLASH splash10-0a4u-9000000000-f52295c14a78ed50e152
Source of Spectrum JZ-1992-926-0
Synonyms 2,5-Dimethyl-3-hexanone 2,5-Dimethylhexan-3-one Isobutyl isopropyl ketone NSC 940
Wiley ID 1131628