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cycloocta[b]thiophene-3-carboxylic acid, 2-[[[[(2E)-3-(2-furanyl)-1-oxo-2-propenyl]amino]carbonothioyl]amino]-4,5,6,7,8,9-hexahydro-, methyl ester

View entire compound with spectra: 1 NMR

cycloocta[b]thiophene-3-carboxylic acid, 2-[[[[(2E)-3-(2-furanyl)-1-oxo-2-propenyl]amino]carbonothioyl]amino]-4,5,6,7,8,9-hexahydro-, methyl ester
SpectraBase Compound ID 6ZXhDtUcAjj
InChI InChI=1S/C20H22N2O4S2/c1-25-19(24)17-14-8-4-2-3-5-9-15(14)28-18(17)22-20(27)21-16(23)11-10-13-7-6-12-26-13/h6-7,10-12H,2-5,8-9H2,1H3,(H2,21,22,23,27)/b11-10+
InChIKey IKDOTMJVQQAMPY-ZHACJKMWSA-N
Mol Weight 418.53 g/mol
Molecular Formula C20H22N2O4S2
Exact Mass 418.1021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4IiSHJElirK
Name cycloocta[b]thiophene-3-carboxylic acid, 2-[[[[(2E)-3-(2-furanyl)-1-oxo-2-propenyl]amino]carbonothioyl]amino]-4,5,6,7,8,9-hexahydro-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.102099540 u
Formula C20H22N2O4S2
InChI InChI=1S/C20H22N2O4S2/c1-25-19(24)17-14-8-4-2-3-5-9-15(14)28-18(17)22-20(27)21-16(23)11-10-13-7-6-12-26-13/h6-7,10-12H,2-5,8-9H2,1H3,(H2,21,22,23,27)/b11-10+
InChIKey IKDOTMJVQQAMPY-ZHACJKMWSA-N
Molecular Weight 418.526 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11712
Solvent DMSO-d6
Source Vendor ID: NMR/10271360; Lab Info: OBK; Lab Number: OBK-0003631