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Butyl 4-cyanobenzoate
SpectraBase Compound ID 35D40OJoRDJ
InChI InChI=1S/C12H13NO2/c1-2-3-8-15-12(14)11-6-4-10(9-13)5-7-11/h4-7H,2-3,8H2,1H3
InChIKey SRGVIBGHRBGAAS-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44GJjAfB2R3
Name 4-Cyanobenzoic acid, butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-2-3-8-15-12(14)11-6-4-10(9-13)5-7-11/h4-7H,2-3,8H2,1H3
InChIKey SRGVIBGHRBGAAS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200606044
Molecular Weight 203.241 g/mol
SMILES C(c1ccc(cc1)C#N)(=O)OCCCC
SPLASH splash10-0f89-2900000000-2807b70f7fdb5f3496fe
Source of Spectrum ASC-348-1255/SM2-2_2
Synonyms Butyl 4-cyanobenzoate
Wiley ID 1764911