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2-Heptenal, (Z)-
SpectraBase Compound ID DaCMsBrDDUP
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5-
InChIKey NDFKTBCGKNOHPJ-WAYWQWQTSA-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 7jB08C1Gr4B
Name 2-Heptenal, (Z)-
Alternate Name(s) (2Z)-2-Heptenal (Z)-2-Heptenal (Z)-Hept-2-enal cis-Hept-2-enal HEPT-CIS-2-ENAL
CAS Registry Number 57266-86-1
Comments Less than 3 mono-isotopic peaks
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Formula C7H12O
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5-
InChIKey NDFKTBCGKNOHPJ-WAYWQWQTSA-N
Molecular Weight 112.172 g/mol
SMILES CCCC\C=C/C=O
SPLASH splash10-0a4i-9100000000-1257b7d6f279cb726d64
Source of Spectrum K-115-168-0
Wiley ID 1123288