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methyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

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methyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
SpectraBase Compound ID B5MSapGH05q
InChI InChI=1S/C23H31ClN4O3S2/c1-14-18(24)19(28(2)27-14)20(29)25-23(32)26-21-17(22(30)31-3)15-12-10-8-6-4-5-7-9-11-13-16(15)33-21/h4-13H2,1-3H3,(H2,25,26,29,32)
InChIKey KGFVNGYXXNHONZ-UHFFFAOYSA-N
Mol Weight 511.1 g/mol
Molecular Formula C23H31ClN4O3S2
Exact Mass 510.152611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KNxAqJfE8rX
Name methyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
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/C23H31ClN4O3S2/c1-14-18(24)19(28(2)27-14)20(29)25-23(32)26-21-17(22(30)31-3)15-12-10-8-6-4-5-7-9-11-13-16(15)33-21/h4-13H2,1-3H3,(H2,25,26,29,32)
InChIKey KGFVNGYXXNHONZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4544
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: 9684665; UBI_ID: UBI-004545
Temperature 308 °C