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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 6oao7YtB4LS
Name Butyl 4-cyanobenzoate
Appearance White solid
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
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202011039
Molecular Weight 203.241 g/mol
SMILES C(CCC)OC(c1ccc(cc1)C#N)=O
SPLASH splash10-001i-0900000000-343cbc49381e32c8d1dc
Source of Spectrum ACI-60-SM29-39
Wiley ID 1880504