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

*Links on SpectraBase are not permalinks.
methyl 4-[({[5-(2-chlorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID 3dJrNXh91Fu
InChI InChI=1S/C23H19ClN4O4S/c1-31-22(30)15-8-10-16(11-9-15)25-20(29)14-33-23-27-26-21(18-6-2-3-7-19(18)24)28(23)13-17-5-4-12-32-17/h2-12H,13-14H2,1H3,(H,25,29)
InChIKey MYNUFCMWMDIROI-UHFFFAOYSA-N
Mol Weight 482.94 g/mol
Molecular Formula C23H19ClN4O4S
Exact Mass 482.081554 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 3tXVeySZUIN
Name methyl 4-[({[5-(2-chlorophenyl)-4-(2-furylmethyl)-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/C23H19ClN4O4S/c1-31-22(30)15-8-10-16(11-9-15)25-20(29)14-33-23-27-26-21(18-6-2-3-7-19(18)24)28(23)13-17-5-4-12-32-17/h2-12H,13-14H2,1H3,(H,25,29)
InChIKey MYNUFCMWMDIROI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14322
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: D98194; Labnumber: GRES-17187; SBI_ID: SBI-014325
Temperature 318 °C