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5-Nitroanthranilonitrile

View entire compound with spectra: 5 NMR, 5 FTIR, 1 Raman, 1 UV-Vis, and 4 MS (GC)

5-Nitroanthranilonitrile
SpectraBase Compound ID 2qiRUzKz13z
InChI InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2
InChIKey MGCGMYPNXAFGFA-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 JgpNmRyy7HO
Name 2-Amino-5-nitrobenzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 153494
CAS Registry Number 17420-30-3
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/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2
InChIKey MGCGMYPNXAFGFA-UHFFFAOYSA-N
Observed nucleus 1H
Purity 95%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Cyano-4-nitroaniline 5-Nitroanthranilonitrile
Wiley ID SIAL_1HNMR_001584