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5-Nitro-1H-benzotriazole

View entire compound with spectra: 5 NMR, and 1 MS (GC)

5-Nitro-1H-benzotriazole
SpectraBase Compound ID 5I1qOlJwnrd
InChI InChI=1S/C6H4N4O2/c11-10(12)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9)
InChIKey UTMDJGPRCLQPBT-UHFFFAOYSA-N
Mol Weight 164.12 g/mol
Molecular Formula C6H4N4O2
Exact Mass 164.033425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FB1DFA0xeVR
Name 1H-1,2,3-benzotriazole, 4-nitro-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 164.033425383 u
Formula C6H4N4O2
InChI InChI=1S/C6H4N4O2/c11-10(12)5-3-1-2-4-6(5)8-9-7-4/h1-3H,(H,7,8,9)
InChIKey UTMDJGPRCLQPBT-UHFFFAOYSA-N
Molecular Weight 164.124 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_808
Solvent DMSO-d6
Source Vendor ID: ZERO/000197; Lab Info:##$NAME= 1H-1,2,3-benzotriazole, 4-nitro-