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2-Cyano-6-methyleneoct-7-ynoic acid isopropyl ester
SpectraBase Compound ID Bjz9tIHp4L5
InChI InChI=1S/C13H17NO2/c1-5-11(4)7-6-8-12(9-14)13(15)16-10(2)3/h1,10,12H,4,6-8H2,2-3H3
InChIKey IVJVYCOVBFHBKB-UHFFFAOYSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32eWaP9yrhH
Name 2-Cyano-6-methyleneoct-7-ynoic acid isopropyl ester
Alternate Name(s) isopropyl 2-cyano-6-methylene-7-octynoate
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Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-5-11(4)7-6-8-12(9-14)13(15)16-10(2)3/h1,10,12H,4,6-8H2,2-3H3
InChIKey IVJVYCOVBFHBKB-UHFFFAOYSA-N
Molecular Weight 219.284 g/mol
SMILES C(C(CCCC(C#C)=C)C#N)(=O)OC(C)C
SPLASH splash10-000x-8900000000-96ed105d707432613f20
Source of Spectrum C5-2005-322-2
Wiley ID 1617936