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Methyl 4-cyanobenzoate

View entire compound with spectra: 10 NMR, 6 FTIR, 2 Raman, and 4 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8KK2UIotqDY
Name Methyl 4-cyanobenzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 230634
CAS Registry Number 1129-35-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Cyanobenzoic acid methyl ester
Wiley ID SIAL_13CNMR_003553