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3-Nitrophenylacetonitrile

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

3-Nitrophenylacetonitrile
SpectraBase Compound ID D2VIiJ3IGJp
InChI InChI=1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2
InChIKey WAVKEPUFQMUGBP-UHFFFAOYSA-N
Mol Weight 162.15 g/mol
Molecular Formula C8H6N2O2
Exact Mass 162.042927 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1mdE2pX7G09
Name 3-Nitrophenylacetonitrile
Source of Sample Aldrich
Catalog Number 377937
CAS Registry Number 621-50-1
Classification Aromatic nitriles & cumulated double bonds
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O2
InChI InChI=1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2
InChIKey WAVKEPUFQMUGBP-UHFFFAOYSA-N
Purity 99%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Melt
Wiley ID SIAL_FTIR_1_7398