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2-Nitrophenylacetonitrile

View entire compound with spectra: 5 NMR, 6 FTIR, 2 Raman, 1 UV-Vis, and 1 MS (GC)

2-Nitrophenylacetonitrile
SpectraBase Compound ID 9aH3lsX8w77
InChI InChI=1S/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2
InChIKey YPRFCQAWSNWRLM-UHFFFAOYSA-N
Mol Weight 162.15 g/mol
Molecular Formula C8H6N2O2
Exact Mass 162.042927 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 86JmC2hAWV5
Name 2-Nitrophenylacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 163341
CAS Registry Number 610-66-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O2
InChI InChI=1S/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2
InChIKey YPRFCQAWSNWRLM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_001966