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1H-1,2,3-triazole-4-carboxlic acid, 2-(2,4-dinitrophenyl)-5-ethyl-2,5-dihydro-5-methyl-
SpectraBase Compound ID 4HCczEdmxJs
InChI InChI=1S/C12H13N5O6/c1-3-12(2)10(11(18)19)13-15(14-12)8-5-4-7(16(20)21)6-9(8)17(22)23/h4-6,14H,3H2,1-2H3,(H,18,19)
InChIKey CQQLLLVCRQAICH-UHFFFAOYSA-N
Mol Weight 323.26 g/mol
Molecular Formula C12H13N5O6
Exact Mass 323.086583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQENp59lvo0
Name 1H-1,2,3-triazole-4-carboxlic acid, 2-(2,4-dinitrophenyl)-5-ethyl-2,5-dihydro-5-methyl-
Alternate Name(s) 1H-1,2,3-triazole-4-carboxylic acid, 2-(2,4-dinitrophenyl)-5-ethyl-2,5-dihydro-5-methyl- 2-(2,4-dinitrophenyl)-5-ethyl-5-methyl-2,5-dihydro-1H-1,2,3-triazole-4-carboxylic acid
CAS Registry Number 104197-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N5O6
InChI InChI=1S/C12H13N5O6/c1-3-12(2)10(11(18)19)13-15(14-12)8-5-4-7(16(20)21)6-9(8)17(22)23/h4-6,14H,3H2,1-2H3,(H,18,19)
InChIKey CQQLLLVCRQAICH-UHFFFAOYSA-N
Molecular Weight 323.265 g/mol
SMILES OC(C1=NN(c2c(N(=O)=O)cc(N(=O)=O)cc2)NC1(CC)C)=O
SPLASH splash10-0006-0191000000-e7f3340acfd0d46ea054
Source of Spectrum J-51-4287-7
Wiley ID 1322275