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4-Amino-3-nitrobenzonitrile

View entire compound with spectra: 4 NMR, 3 FTIR, and 1 Raman

4-Amino-3-nitrobenzonitrile
SpectraBase Compound ID CiYIbO4Mr8B
InChI InChI=1S/C7H5N3O2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2
InChIKey JAHADAZIDZMHOP-UHFFFAOYSA-N
Mol Weight 163.14 g/mol
Molecular Formula C7H5N3O2
Exact Mass 163.038176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Pv1IPV2QQB
Name 4-Amino-3-nitrobenzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 324698
CAS Registry Number 6393-40-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5N3O2
InChI InChI=1S/C7H5N3O2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2
InChIKey JAHADAZIDZMHOP-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_006387