For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1H-1,2,4-triazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-(1,1-dimethylethyl)-4,5-dihydro-, ethyl ester

View entire compound with spectra: 1 NMR

1H-1,2,4-triazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-(1,1-dimethylethyl)-4,5-dihydro-, ethyl ester
SpectraBase Compound ID HW2Z2xBCrdD
InChI InChI=1S/C29H30Cl3N3O4/c1-6-38-28(36)26-33-35(20-13-11-19(30)12-14-20)27(34(26)29(2,3)4)18-10-15-24(25(16-18)37-5)39-17-21-22(31)8-7-9-23(21)32/h7-16,27H,6,17H2,1-5H3
InChIKey XZXDNLGCZMSKET-UHFFFAOYSA-N
Mol Weight 590.94 g/mol
Molecular Formula C29H30Cl3N3O4
Exact Mass 589.13019 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AlfIRdCYxOw
Name 1H-1,2,4-triazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-(1,1-dimethylethyl)-4,5-dihydro-, ethyl ester
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/C29H30Cl3N3O4/c1-6-38-28(36)26-33-35(20-13-11-19(30)12-14-20)27(34(26)29(2,3)4)18-10-15-24(25(16-18)37-5)39-17-21-22(31)8-7-9-23(21)32/h7-16,27H,6,17H2,1-5H3
InChIKey XZXDNLGCZMSKET-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1801
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/9223732; Labnumber: LP-3900298
Temperature 303 °C