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2-Heptanone
SpectraBase Compound ID C6OKgGqzGsw
InChI InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
InChIKey CATSNJVOTSVZJV-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 GxNXoQKaF6I
Name 2-Heptanone
CAS Registry Number 110-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
InChIKey CATSNJVOTSVZJV-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES CC(CCCCC)=O
SPLASH splash10-0006-9000000000-cf0d1452afe4ba87927f
Source of Spectrum NW-121-0-0
Synonyms 2-Ketoheptane Amyl methyl ketone Amyl-methyl-cetone Heptan-2-one Ketone C-7 Ketone, methyl pentyl Methyl amyl ketone Methyl n-amyl ketone Methyl n-pentyl ketone Methyl pentyl ketone Methyl-amyl-cetone N-C5H11COCH3 n-Pentyl methyl ketone Pentyl methyl ketone n-Amyl methyl ketone AI3-01230 BRN 1699063 EINECS 203-767-1 FEMA NO. 2544 HSDB 1122 NSC 7313 UN1110
Wiley ID 1124611