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3-nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine
SpectraBase Compound ID 5KBBh55uCWO
InChI InChI=1S/C8H7N5O2/c9-7-10-8(13(14)15)11-12(7)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKey JKMKDMRBXCSPLE-UHFFFAOYSA-N
Mol Weight 205.18 g/mol
Molecular Formula C8H7N5O2
Exact Mass 205.059974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdCHA5j0Jwd
Name 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine
Alternate Name(s) (5-nitro-2-phenyl-1,2,4-triazol-3-yl)amine 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-amine 5-Nitro-2-phenyl-1,2,4-triazol-3-amine 5-Nitro-2-phenyl-2H-[1,2,4]triazol-3-ylamine
CAS Registry Number 120952-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N5O2
InChI InChI=1S/C8H7N5O2/c9-7-10-8(13(14)15)11-12(7)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKey JKMKDMRBXCSPLE-UHFFFAOYSA-N
Molecular Weight 205.177 g/mol
SMILES Nc1nc(n[n]1-c1ccccc1)N(=O)=O
SPLASH splash10-004i-9120000000-5df41cf5995daf13786d
Wiley ID 1460962