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5-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazole-3-carboxylic acid ethyl ester
SpectraBase Compound ID 51ihvc644sI
InChI InChI=1S/C25H23N3O5/c1-3-31-25(29)23-26-28(19-7-5-4-6-8-19)24(17-9-14-21-22(15-17)33-16-32-21)27(23)18-10-12-20(30-2)13-11-18/h4-15,24H,3,16H2,1-2H3
InChIKey LWSUEIOGYLGZJI-UHFFFAOYSA-N
Mol Weight 445.48 g/mol
Molecular Formula C25H23N3O5
Exact Mass 445.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzHbgDvICwU
Name 5-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazole-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 5-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N3O5
InChI InChI=1S/C25H23N3O5/c1-3-31-25(29)23-26-28(19-7-5-4-6-8-19)24(17-9-14-21-22(15-17)33-16-32-21)27(23)18-10-12-20(30-2)13-11-18/h4-15,24H,3,16H2,1-2H3
InChIKey LWSUEIOGYLGZJI-UHFFFAOYSA-N
Molecular Weight 445.475 g/mol
SMILES C=1(N(C(c2cc3OCOc3cc2)N(N1)c1ccccc1)c1ccc(cc1)OC)C(=O)OCC
SPLASH splash10-00di-4569400000-b5dd5b0cf87d12f7b5cb
Wiley ID 1437379