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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 1pKhsDrnzWg
Name Hept-(4Z)-enal
Source of Sample SAFC Cat.no. W328901
CAS Registry Number 6728-31-0
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 112.088815005 u
Formula C7H12O
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
Molecular Weight 112.172 g/mol
Number of Peaks 50
RI1 902
RI2 570
RI3 645
RI4 603
SMILES C(CC\C=C/CC)=O
SPLASH splash10-05nf-9000000000-02641faad71ce55a1e99
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 4-Heptenal, (4Z)-
Wiley ID LM_FFNSC3_342