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Methyl 4-cyanobenzoate
SpectraBase Compound ID 8uPvy7rTgSc
InChI InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3
InChIKey KKZMIDYKRKGJHG-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C9H7NO2
Exact Mass 161.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2xShHlthhI
Name Benzoic acid, 4-cyano-, methyl ester
CAS Registry Number 1129-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2
InChI InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3
InChIKey KKZMIDYKRKGJHG-UHFFFAOYSA-N
Molecular Weight 161.160 g/mol
SMILES C(#N)c1ccc(C(=O)OC)cc1
SPLASH splash10-0f89-2900000000-9f2a205024984e1551af
Source of Spectrum W5-1989-26602-1
Synonyms 4-Cyanobenzoic acid methyl ester Benzoic acid, p-cyano-, methyl ester Methyl 4-cyanobenzoate Methyl p-cyanobenzoate p-Cyanobenzoic acid methyl ester EINECS 214-443-4
Wiley ID 1157684