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7-NITRO-1H-BENZOTRIAZOLE

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7-NITRO-1H-BENZOTRIAZOLE
SpectraBase Compound ID 9H9gqGRhWT2
InChI InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
InChIKey AOCDQWRMYHJTMY-UHFFFAOYSA-N
Mol Weight 164.12 g/mol
Molecular Formula C6H4N4O2
Exact Mass 164.033425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Xnl2Ta2YG0
Name 5-NITRO-1H-BENZOTRIAZOLE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H4N4O2
InChI InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
InChIKey AOCDQWRMYHJTMY-UHFFFAOYSA-N
Melting Point 216-218C
Molecular Weight 164.12
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1H-BENZOTRIAZOLE, 5-NITRO-,