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methyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

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methyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID KYnypkWu06m
InChI InChI=1S/C16H17ClN4O3S2/c1-7-11(17)12(21(2)20-7)13(22)18-16(25)19-14-10(15(23)24-3)8-5-4-6-9(8)26-14/h4-6H2,1-3H3,(H2,18,19,22,25)
InChIKey MZUNCEOLGOZIHI-UHFFFAOYSA-N
Mol Weight 412.91 g/mol
Molecular Formula C16H17ClN4O3S2
Exact Mass 412.04306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4MP8K12HvHO
Name methyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[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/C16H17ClN4O3S2/c1-7-11(17)12(21(2)20-7)13(22)18-16(25)19-14-10(15(23)24-3)8-5-4-6-9(8)26-14/h4-6H2,1-3H3,(H2,18,19,22,25)
InChIKey MZUNCEOLGOZIHI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7255
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: 9686093; UBI_ID: UBI-007258
Temperature 308 °C