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Benzoic acid, 3-cyano-4-(pentyloxy)-, ethyl ester
SpectraBase Compound ID KYMKAEMRuNu
InChI InChI=1S/C15H19NO3/c1-3-5-6-9-19-14-8-7-12(10-13(14)11-16)15(17)18-4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKey BLBPHOGSOISAKZ-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qQwfhyTfRi
Name Benzoic acid, 3-cyano-4-(pentyloxy)-, ethyl ester
Alternate Name(s) Ethyl 3-cyano-4-(pentyloxy)benzoate 3-Cyano-4-pentoxybenzoic acid ethyl ester Ethyl 3-cyano-4-pentoxybenzoate Ethyl 3-cyano-4-pentoxy-benzoate
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Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-3-5-6-9-19-14-8-7-12(10-13(14)11-16)15(17)18-4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKey BLBPHOGSOISAKZ-UHFFFAOYSA-N
Molecular Weight 261.321 g/mol
SMILES CCCCCOc1ccc(cc1C#N)C(=O)OCC
SPLASH splash10-01oy-6900000000-a0a4b13dc397d5f36aee
Source of Spectrum JX-2015-2-127
Wiley ID 1721880