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N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-({3-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3-oxopropyl}sulfanyl)propanamide
SpectraBase Compound ID Kg359HBCjBN
InChI InChI=1S/C28H34N4O2S3/c1-3-17-5-7-19-21(15-29)27(36-23(19)13-17)31-25(33)9-11-35-12-10-26(34)32-28-22(16-30)20-8-6-18(4-2)14-24(20)37-28/h17-18H,3-14H2,1-2H3,(H,31,33)(H,32,34)
InChIKey OJDQYENPPYPBND-UHFFFAOYSA-N
Mol Weight 554.8 g/mol
Molecular Formula C28H34N4O2S3
Exact Mass 554.18439 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1n28uzeZ4e4
Name N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-({3-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)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/C28H34N4O2S3/c1-3-17-5-7-19-21(15-29)27(36-23(19)13-17)31-25(33)9-11-35-12-10-26(34)32-28-22(16-30)20-8-6-18(4-2)14-24(20)37-28/h17-18H,3-14H2,1-2H3,(H,31,33)(H,32,34)
InChIKey OJDQYENPPYPBND-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9887
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/9062776; UBI_ID: UBI-009890
Temperature 308 °C