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

*Links on SpectraBase are not permalinks.
methyl 4-[({[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID 4lt1tU3196G
InChI InChI=1S/C24H18Cl2N4O3S/c1-33-23(32)15-6-10-17(11-7-15)27-21(31)14-34-24-29-28-22(19-4-2-3-5-20(19)26)30(24)18-12-8-16(25)9-13-18/h2-13H,14H2,1H3,(H,27,31)
InChIKey OJRVTOAXXCBPGI-UHFFFAOYSA-N
Mol Weight 513.4 g/mol
Molecular Formula C24H18Cl2N4O3S
Exact Mass 512.047667 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 7AjPWBsmw16
Name methyl 4-[({[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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/C24H18Cl2N4O3S/c1-33-23(32)15-6-10-17(11-7-15)27-21(31)14-34-24-29-28-22(19-4-2-3-5-20(19)26)30(24)18-12-8-16(25)9-13-18/h2-13H,14H2,1H3,(H,27,31)
InChIKey OJRVTOAXXCBPGI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14371
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: D98329; Labnumber: GRES-19378; SBI_ID: SBI-014374
Temperature 308 °C