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Benzoic acid, 4-cyano-, phenyl ester
SpectraBase Compound ID 9QrLr5lzhuZ
InChI InChI=1S/C14H9NO2/c15-10-11-6-8-12(9-7-11)14(16)17-13-4-2-1-3-5-13/h1-9H
InChIKey UTARNPHXZJRNPC-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C14H9NO2
Exact Mass 223.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WSvMWv7Kcz
Name Benzoic acid, 4-cyano-, phenyl ester
Alternate Name(s) 4-Cyanobenzoic acid phenyl ester Phenyl 4-Cyanobenzoate Benzoic acid, p-cyano-, phenyl ester Phenyl p-cyanobenzoate 4-Cyanobenzoic acid, phenyl ester
CAS Registry Number 17847-33-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9NO2
InChI InChI=1S/C14H9NO2/c15-10-11-6-8-12(9-7-11)14(16)17-13-4-2-1-3-5-13/h1-9H
InChIKey UTARNPHXZJRNPC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo3012573
Molecular Weight 223.231 g/mol
SMILES c1c(ccc(c1)C(=O)Oc1ccccc1)C#N
SPLASH splash10-0ue9-0910000000-0a761dbbb639c83662e9
Source of Spectrum J-77-8347-3ab
Wiley ID 1745224