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5-Heptenoic acid, 4-acetoxy-5-cyano-7-phenyl-, methyl ester

View entire compound with spectra: 2 MS (GC)

5-Heptenoic acid, 4-acetoxy-5-cyano-7-phenyl-, methyl ester
SpectraBase Compound ID GSgVOKcWxXh
InChI InChI=1S/C17H19NO4/c1-13(19)22-16(10-11-17(20)21-2)15(12-18)9-8-14-6-4-3-5-7-14/h3-7,9,16H,8,10-11H2,1-2H3/b15-9+
InChIKey RKQVWDWRGGNZBY-OQLLNIDSSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YV3kKIaFId
Name
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Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-13(19)22-16(10-11-17(20)21-2)15(12-18)9-8-14-6-4-3-5-7-14/h3-7,9,16H,8,10-11H2,1-2H3/b15-9+
InChIKey RKQVWDWRGGNZBY-OQLLNIDSSA-N
Molecular Weight 301.1309
SMILES c1cccc(C\C=C/(C#N)C(CCC(OC)=O)OC(C)=O)c1
SPLASH splash10-000x-4940000000-d126592d3b6291fd4fdc
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany