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ethyl 2-{[(Z)-(1-(3-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID DOhxMhuEa8D
InChI InChI=1S/C22H20ClN3O5S/c1-2-31-21(29)17-14-8-3-4-9-16(14)32-19(17)24-11-15-18(27)25-22(30)26(20(15)28)13-7-5-6-12(23)10-13/h5-7,10-11,24H,2-4,8-9H2,1H3,(H,25,27,30)/b15-11-
InChIKey QQPAHRQOBFIBGC-PTNGSMBKSA-N
Mol Weight 473.93 g/mol
Molecular Formula C22H20ClN3O5S
Exact Mass 473.08122 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D8pDEvOTrRo
Name ethyl 2-{[(Z)-(1-(3-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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/C22H20ClN3O5S/c1-2-31-21(29)17-14-8-3-4-9-16(14)32-19(17)24-11-15-18(27)25-22(30)26(20(15)28)13-7-5-6-12(23)10-13/h5-7,10-11,24H,2-4,8-9H2,1H3,(H,25,27,30)/b15-11-
InChIKey QQPAHRQOBFIBGC-PTNGSMBKSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16074
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: UZI/8067947; UBI_ID: UBI-016077
Synonyms ethyl 2-{[(1-(3-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 308 °C