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N-(1-adamantyl)-6-[(5E)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanamide
SpectraBase Compound ID 6JMMmUBaA1e
InChI InChI=1S/C27H34N2O3S2/c1-32-22-8-6-18(7-9-22)14-23-25(31)29(26(33)34-23)10-4-2-3-5-24(30)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h6-9,14,19-21H,2-5,10-13,15-17H2,1H3,(H,28,30)/b23-14+/t19-,20+,21-,27-
InChIKey LWLDHASCVFQUSH-SAMFZLQRSA-N
Mol Weight 498.7 g/mol
Molecular Formula C27H34N2O3S2
Exact Mass 498.201085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FGErcEIHpGX
Name N-(1-adamantyl)-6-[(5E)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanamide
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/C27H34N2O3S2/c1-32-22-8-6-18(7-9-22)14-23-25(31)29(26(33)34-23)10-4-2-3-5-24(30)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h6-9,14,19-21H,2-5,10-13,15-17H2,1H3,(H,28,30)/b23-14+/t19-,20+,21-,27-
InChIKey LWLDHASCVFQUSH-SAMFZLQRSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_304
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: 601807EX00040251; Labnumber: 601807EX00040251; VK_ID: VK-000305
Synonyms N-(1-adamantyl)-6-[5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanamide
Temperature 313 °C