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Heptanal
SpectraBase Compound ID 9M2RcXVjtVD
InChI InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChIKey FXHGMKSSBGDXIY-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 9g6H2LiOucU
Name Heptanal
CAS Registry Number 111-71-7
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/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChIKey FXHGMKSSBGDXIY-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES C(CCCC=O)CC
SPLASH splash10-0006-9000000000-81855ab747c37633a06e
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887431