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4-Heptenal, (Z)-
SpectraBase Compound ID Ij54wApNtPv
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
InChIKey VVGOCOMZRGWHPI-ARJAWSKDSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsH75YH8s3T
Name (Z)-hept-4-enal
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 112.088815005 u
Formula C7H12O
GC Column HP-1 (50 m x 0.2 mm, film thickness 0.33 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
InChIKey VVGOCOMZRGWHPI-ARJAWSKDSA-N
Inlet Type Split (1:100)
Instrument Name Agilent 6890N-Agilent 5973N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202200817
Molecular Weight 112.172 g/mol
Quality 936
SMILES C(\C=C/CCC=O)C
SPLASH splash10-05nf-9000000000-7e812b36b2ef209a1288
Source of Spectrum CBD-20-SM36-4a (DOI: 10.1002/cbdv.202200817)
Wiley ID 1901365