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

*Links on SpectraBase are not permalinks.
methyl 2-{[({1-[4-(methoxycarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)acetyl]amino}benzoate
SpectraBase Compound ID GvSMmwIDFko
InChI InChI=1S/C19H17N5O5S/c1-28-17(26)12-7-9-13(10-8-12)24-19(21-22-23-24)30-11-16(25)20-15-6-4-3-5-14(15)18(27)29-2/h3-10H,11H2,1-2H3,(H,20,25)
InChIKey QDFVGODRQZAPCS-UHFFFAOYSA-N
Mol Weight 427.44 g/mol
Molecular Formula C19H17N5O5S
Exact Mass 427.09504 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 Jj0VxsZpzkt
Name methyl 2-{[({1-[4-(methoxycarbonyl)phenyl]-1H-tetraazol-5-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/C19H17N5O5S/c1-28-17(26)12-7-9-13(10-8-12)24-19(21-22-23-24)30-11-16(25)20-15-6-4-3-5-14(15)18(27)29-2/h3-10H,11H2,1-2H3,(H,20,25)
InChIKey QDFVGODRQZAPCS-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1942
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/9273652; Labnumber: LP-3701039
Temperature 297 °C