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(E)-3-Methylhex-2-enenitrile
SpectraBase Compound ID HgaO7HEGB2a
InChI InChI=1S/C7H11N/c1-3-4-7(2)5-6-8/h5H,3-4H2,1-2H3/b7-5+
InChIKey UATIBVXCQWNCPG-FNORWQNLSA-N
Mol Weight 109.17 g/mol
Molecular Formula C7H11N
Exact Mass 109.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVD6F1YXuae
Name (E)-3-Methylhex-2-enenitrile
Appearance Yellow oil
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Formula C7H11N
InChI InChI=1S/C7H11N/c1-3-4-7(2)5-6-8/h5H,3-4H2,1-2H3/b7-5+
InChIKey UATIBVXCQWNCPG-FNORWQNLSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 109.172 g/mol
Reported Formula C7H11N
SMILES C\C(=C/C#N)CCC
SPLASH splash10-00lr-9000000000-5fb14f904bacc25e506b
Sample Comments E/Z = 99:1
Source of Spectrum ACI-60-SM59-8c
Wiley ID 1880420