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N-(3-cyano-4,5-dimethyl-2-thienyl)-3-({3-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-3-oxopropyl}sulfanyl)propanamide
SpectraBase Compound ID 4DwYDKSuZIP
InChI InChI=1S/C20H22N4O2S3/c1-11-13(3)28-19(15(11)9-21)23-17(25)5-7-27-8-6-18(26)24-20-16(10-22)12(2)14(4)29-20/h5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKey YKCTVLLYJACIDE-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C20H22N4O2S3
Exact Mass 446.090489 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID lNDO1jwtH6
Name N-(3-cyano-4,5-dimethyl-2-thienyl)-3-({3-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-3-oxopropyl}sulfanyl)propanamide
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/C20H22N4O2S3/c1-11-13(3)28-19(15(11)9-21)23-17(25)5-7-27-8-6-18(26)24-20-16(10-22)12(2)14(4)29-20/h5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKey YKCTVLLYJACIDE-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17213
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: UZI/9045453; UBI_ID: UBI-017216
Temperature 313 °C