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1H-1,2,4-Triazole, 1-methyl-5-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-3-nitro-
SpectraBase Compound ID DklNwJbwH5K
InChI InChI=1S/C6H7N7O2S/c1-11-3-7-9-6(11)16-5-8-4(13(14)15)10-12(5)2/h3H,1-2H3
InChIKey YLJWWMWFYYJRNS-UHFFFAOYSA-N
Mol Weight 241.23 g/mol
Molecular Formula C6H7N7O2S
Exact Mass 241.038194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Po59cLjTyk
Name 1H-1,2,4-Triazole, 1-methyl-5-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-3-nitro-
Alternate Name(s) 1-Methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N7O2S
InChI InChI=1S/C6H7N7O2S/c1-11-3-7-9-6(11)16-5-8-4(13(14)15)10-12(5)2/h3H,1-2H3
InChIKey YLJWWMWFYYJRNS-UHFFFAOYSA-N
Molecular Weight 241.229 g/mol
SMILES C[n]1c(Sc2[n](nc(n2)N(=O)=O)C)nnc1
SPLASH splash10-0006-9200000000-986ca2d2a87a3a897707
Source of Spectrum IY-1-4462-5
Wiley ID 1652608