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Diethyl 1-benzyl-5-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole-4,4-dicarboxylate
SpectraBase Compound ID 2v20OUw5OB9
InChI InChI=1S/C21H22N4O6/c1-3-30-19(26)21(20(27)31-4-2)18(16-10-12-17(13-11-16)25(28)29)24(23-22-21)14-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3
InChIKey WPMACRXRQVVUAE-UHFFFAOYSA-N
Mol Weight 426.43 g/mol
Molecular Formula C21H22N4O6
Exact Mass 426.153934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOdedfaTLtZ
Name Diethyl 1-benzyl-5-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole-4,4-dicarboxylate
Alternate Name(s) Diethyl 1-benzyl-5-(4-nitrophenyl)-1,5-dihydro-4H-1,2,3-triazole-4,4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N4O6
InChI InChI=1S/C21H22N4O6/c1-3-30-19(26)21(20(27)31-4-2)18(16-10-12-17(13-11-16)25(28)29)24(23-22-21)14-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3
InChIKey WPMACRXRQVVUAE-UHFFFAOYSA-N
Molecular Weight 426.429 g/mol
SMILES C1(N=NN(C1c1ccc(N(=O)=O)cc1)Cc1ccccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-002f-9332000000-1bfcbc11dc50e83fb786
Source of Spectrum B-47-1375-0
Wiley ID 1379851