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3-Nitrophenylacetonitrile

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

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 25zvEET3X79
Name 3-Nitrophenylacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 377937
CAS Registry Number 621-50-1
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/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2
InChIKey WAVKEPUFQMUGBP-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008198