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3-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethylphenyl)-2,5-pyrrolidinedione
SpectraBase Compound ID 8NedspPC3FE
InChI InChI=1S/C21H18ClN3O2S3/c1-12-3-8-16(9-13(12)2)25-18(26)10-17(19(25)27)29-21-24-23-20(30-21)28-11-14-4-6-15(22)7-5-14/h3-9,17H,10-11H2,1-2H3
InChIKey PHMNFQWHMNVEKJ-UHFFFAOYSA-N
Mol Weight 476.03 g/mol
Molecular Formula C21H18ClN3O2S3
Exact Mass 475.024968 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6oqX2F5xdCa
Name 3-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(3,4-dimethylphenyl)-2,5-pyrrolidinedione
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/C21H18ClN3O2S3/c1-12-3-8-16(9-13(12)2)25-18(26)10-17(19(25)27)29-21-24-23-20(30-21)28-11-14-4-6-15(22)7-5-14/h3-9,17H,10-11H2,1-2H3
InChIKey PHMNFQWHMNVEKJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17458
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: D27251; Labnumber: VGU-18435; SBI_ID: SBI-017461
Temperature 315 °C