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3-nitro-p-toluamide

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

3-nitro-p-toluamide
SpectraBase Compound ID DRjxLWTO4cz
InChI InChI=1S/C8H8N2O3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3,(H2,9,11)
InChIKey YEUGEQUFPMJGCD-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C8H8N2O3
Exact Mass 180.053492 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FHP0BWeeTCQ
Name benzamide, 4-methyl-3-nitro-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C8H8N2O3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3,(H2,9,11)
InChIKey YEUGEQUFPMJGCD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4718
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: AG-205/5052615; Labnumber: AI-9252; IOH_ID: IOH-011721