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1H-1,2,4-Triazole-3-carboxylic acid, 4,5-dihydro-4-tert-butyl-1,5-di(4-chlorophenyl)-, ethyl ester
SpectraBase Compound ID G2BQJB5bDpG
InChI InChI=1S/C21H23Cl2N3O2/c1-5-28-20(27)18-24-26(17-12-10-16(23)11-13-17)19(25(18)21(2,3)4)14-6-8-15(22)9-7-14/h6-13,19H,5H2,1-4H3
InChIKey KQUQYTMLOJYTNM-UHFFFAOYSA-N
Mol Weight 420.34 g/mol
Molecular Formula C21H23Cl2N3O2
Exact Mass 419.116732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JW7wGgvOquu
Name 1H-1,2,4-Triazole-3-carboxylic acid, 4,5-dihydro-4-tert-butyl-1,5-di(4-chlorophenyl)-, ethyl ester
CAS Registry Number 309734-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23Cl2N3O2
InChI InChI=1S/C21H23Cl2N3O2/c1-5-28-20(27)18-24-26(17-12-10-16(23)11-13-17)19(25(18)21(2,3)4)14-6-8-15(22)9-7-14/h6-13,19H,5H2,1-4H3
InChIKey KQUQYTMLOJYTNM-UHFFFAOYSA-N
Molecular Weight 420.340 g/mol
SMILES C=1(N(C(c2ccc(cc2)Cl)N(N1)c1ccc(cc1)Cl)C(C)(C)C)C(=O)OCC
SPLASH splash10-0zfr-3493000000-46f9212a42c73a457112
Source of Spectrum AD-0-2532-0
Synonyms 4-tert-Butyl-2,3-bis(4-chlorophenyl)-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Ethyl 4-tert-butyl-1,5-bis(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate Ethyl 4-tert-butyl-2,3-bis(4-chlorophenyl)-3H-1,2,4-triazole-5-carboxylate
Wiley ID 1420885