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1-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-2,3-dimethyl-1H-indole
SpectraBase Compound ID IYCw8rcboTE
InChI InChI=1S/C21H18ClN3OS3/c1-13-14(2)25(18-6-4-3-5-17(13)18)19(26)12-28-21-24-23-20(29-21)27-11-15-7-9-16(22)10-8-15/h3-10H,11-12H2,1-2H3
InChIKey DWWXTPSVDRLHRB-UHFFFAOYSA-N
Mol Weight 460.03 g/mol
Molecular Formula C21H18ClN3OS3
Exact Mass 459.030053 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 25ARbYBIDRB
Name 1-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-2,3-dimethyl-1H-indole
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/C21H18ClN3OS3/c1-13-14(2)25(18-6-4-3-5-17(13)18)19(26)12-28-21-24-23-20(29-21)27-11-15-7-9-16(22)10-8-15/h3-10H,11-12H2,1-2H3
InChIKey DWWXTPSVDRLHRB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17457
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: D27250; Labnumber: VGU-18434; SBI_ID: SBI-017460
Temperature 315 °C