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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 LQrMu4BEmz2
Name 2-Heptanone
CAS Registry Number 110-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
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 C(CCCC)C(C)=O
SPLASH splash10-052f-9000000000-f06f328b8d6602ee5244
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Heptanone<2->
Wiley ID 1887439