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5-{[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
SpectraBase Compound ID 5Gu06iGE3dW
InChI InChI=1S/C24H19N3OS3/c28-22(16-30-23-25-27(24(29)31-23)19-10-2-1-3-11-19)26-20-12-6-4-8-17(20)14-15-18-9-5-7-13-21(18)26/h1-13H,14-16H2
InChIKey PJFPGRRZNLJUDC-UHFFFAOYSA-N
Mol Weight 461.62 g/mol
Molecular Formula C24H19N3OS3
Exact Mass 461.069026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AqGKpjDpYqJ
Name 5-{[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
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/C24H19N3OS3/c28-22(16-30-23-25-27(24(29)31-23)19-10-2-1-3-11-19)26-20-12-6-4-8-17(20)14-15-18-9-5-7-13-21(18)26/h1-13H,14-16H2
InChIKey PJFPGRRZNLJUDC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7366
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: 128201; Labnumber: VGU-15190; VK_ID: VK-007370
Temperature 318 °C