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methyl 2-({[1-methyl-3-(4-morpholinylcarbonyl)-1H-pyrazol-5-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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methyl 2-({[1-methyl-3-(4-morpholinylcarbonyl)-1H-pyrazol-5-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 5FnNrTODY0o
InChI InChI=1S/C21H26N4O5S/c1-24-15(12-14(23-24)20(27)25-8-10-30-11-9-25)18(26)22-19-17(21(28)29-2)13-6-4-3-5-7-16(13)31-19/h12H,3-11H2,1-2H3,(H,22,26)
InChIKey FVNBLWCUPWTHSC-UHFFFAOYSA-N
Mol Weight 446.52 g/mol
Molecular Formula C21H26N4O5S
Exact Mass 446.162391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9WnOGK8D5tq
Name methyl 2-({[1-methyl-3-(4-morpholinylcarbonyl)-1H-pyrazol-5-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[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/C21H26N4O5S/c1-24-15(12-14(23-24)20(27)25-8-10-30-11-9-25)18(26)22-19-17(21(28)29-2)13-6-4-3-5-7-16(13)31-19/h12H,3-11H2,1-2H3,(H,22,26)
InChIKey FVNBLWCUPWTHSC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33359
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: 1927317; SBI_ID: SBI-033363
Temperature 318 °C