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methyl 2-{[{(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazino}(oxo)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID H7GB6cUtcV2
InChI InChI=1S/C21H23N3O6S/c1-11(12-8-9-14(28-2)15(10-12)29-3)23-24-19(26)18(25)22-20-17(21(27)30-4)13-6-5-7-16(13)31-20/h8-10H,5-7H2,1-4H3,(H,22,25)(H,24,26)/b23-11+
InChIKey KFWLPQXBTRXGSQ-FOKLQQMPSA-N
Mol Weight 445.49 g/mol
Molecular Formula C21H23N3O6S
Exact Mass 445.130757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4aHibq1FC7z
Name methyl 2-{[{(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazino}(oxo)acetyl]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/C21H23N3O6S/c1-11(12-8-9-14(28-2)15(10-12)29-3)23-24-19(26)18(25)22-20-17(21(27)30-4)13-6-5-7-16(13)31-20/h8-10H,5-7H2,1-4H3,(H,22,25)(H,24,26)/b23-11+
InChIKey KFWLPQXBTRXGSQ-FOKLQQMPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21011
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: D51943; Labnumber: NIG-P1871; SBI_ID: SBI-021015
Synonyms methyl 2-{[{2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazino}(oxo)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Temperature 318 °C