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5,6-Dimethyl-4-phenyl-2-(N-phenylcarbamoyl)-4,5-dihydro-imidazo[2,1-e][1,2,4]triazol-8-carboxylate
SpectraBase Compound ID KKBEJFXdIFT
InChI InChI=1S/C21H21N5O4/c1-21-24(2)14-17(18(27)29-3)26(21)23-19(25(21)16-12-8-5-9-13-16)30-20(28)22-15-10-6-4-7-11-15/h4-14H,1-3H3,(H,22,28)
InChIKey VTHSUGQFIYYMCL-UHFFFAOYSA-N
Mol Weight 407.43 g/mol
Molecular Formula C21H21N5O4
Exact Mass 407.159354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84P80h9AcL5
Name 5,6-Dimethyl-4-phenyl-2-(N-phenylcarbamoyl)-4,5-dihydro-imidazo[2,1-e][1,2,4]triazol-8-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N5O4
InChI InChI=1S/C21H21N5O4/c1-21-24(2)14-17(18(27)29-3)26(21)23-19(25(21)16-12-8-5-9-13-16)30-20(28)22-15-10-6-4-7-11-15/h4-14H,1-3H3,(H,22,28)
InChIKey VTHSUGQFIYYMCL-UHFFFAOYSA-N
Molecular Weight 407.430 g/mol
SMILES N(C(OC=1N(C2(N(C(C(=O)OC)=CN2C)N1)C)c1ccccc1)=O)c1ccccc1
SPLASH splash10-0002-0900000000-e03dbc0dd4f2b2137154
Source of Spectrum J-66-8534-15
Synonyms 2-[anilino(oxo)methoxy]-3a,4-dimethyl-3-phenyl-6-imidazo[1,2-b][1,2,4]triazolecarboxylic acid methyl ester Methyl 3a,4-dimethyl-3-phenyl-2-(phenylcarbamoyloxy)imidazo[1,2-b][1,2,4]triazole-6-carboxylate
Wiley ID 1568664