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1,2,4-Triazolo[4,3-c]pyrimidine, 7-methoxy-8-nitro-3-(2-nitrophenyl)-
SpectraBase Compound ID 2YkPXiSu8qG
InChI InChI=1S/C12H8N6O5/c1-23-12-9(18(21)22)11-15-14-10(16(11)6-13-12)7-4-2-3-5-8(7)17(19)20/h2-6H,1H3
InChIKey ZJNRMAUZSWNUIC-UHFFFAOYSA-N
Mol Weight 316.23 g/mol
Molecular Formula C12H8N6O5
Exact Mass 316.055617 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcIrLvKyhUw
Name 1,2,4-Triazolo[4,3-c]pyrimidine, 7-methoxy-8-nitro-3-(2-nitrophenyl)-
CAS Registry Number 68028-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N6O5
InChI InChI=1S/C12H8N6O5/c1-23-12-9(18(21)22)11-15-14-10(16(11)6-13-12)7-4-2-3-5-8(7)17(19)20/h2-6H,1H3
InChIKey ZJNRMAUZSWNUIC-UHFFFAOYSA-N
Molecular Weight 316.233 g/mol
SMILES c12[n](c(-c3c(N(=O)=O)cccc3)nn1)C=NC(=C2N(=O)=O)OC
SPLASH splash10-0gdi-9413000000-b8427b88a35b06d0292d
Source of Spectrum O-15-76-1
Synonyms 7-Methoxy-8-nitro-3(2-nitrophenyl)-S-triazolo[4,3-c]pyrmidine 7-Methoxy-8-nitro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]pyrimidine Methyl 8-nitro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]pyrimidin-7-yl ether
Wiley ID 1316318