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

*Links on SpectraBase are not permalinks.
methyl 4-[({[6-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID BdTeNJdNiFo
InChI InChI=1S/C26H21N7O4S3/c1-37-24(36)16-7-9-17(10-8-16)27-23(35)15-39-26-29-20-12-11-18(13-21(20)40-26)28-22(34)14-38-25-30-31-32-33(25)19-5-3-2-4-6-19/h2-13H,14-15H2,1H3,(H,27,35)(H,28,34)
InChIKey JARJDCAJXNMVEF-UHFFFAOYSA-N
Mol Weight 591.68 g/mol
Molecular Formula C26H21N7O4S3
Exact Mass 591.081716 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 KrTPY1lrVHU
Name methyl 4-[({[6-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-1,3-benzothiazol-2-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/C26H21N7O4S3/c1-37-24(36)16-7-9-17(10-8-16)27-23(35)15-39-26-29-20-12-11-18(13-21(20)40-26)28-22(34)14-38-25-30-31-32-33(25)19-5-3-2-4-6-19/h2-13H,14-15H2,1H3,(H,27,35)(H,28,34)
InChIKey JARJDCAJXNMVEF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_827
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: ZI/8163894; Labnumber: LP-0605426
Temperature 303 °C