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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

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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FSgzhWgwIJ1
Name ethyl 4-tert-butyl-1,5-bis(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1874
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9223730; Labnumber: LP-3900198
Temperature 303 °C