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methyl 2-{[[(2E)-2-(2-methylbenzylidene)hydrazino](oxo)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID Tv3tTskeej
InChI InChI=1S/C19H19N3O4S/c1-11-6-3-4-7-12(11)10-20-22-17(24)16(23)21-18-15(19(25)26-2)13-8-5-9-14(13)27-18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,21,23)(H,22,24)/b20-10+
InChIKey ZFDJDXGTRRKDOD-KEBDBYFISA-N
Mol Weight 385.44 g/mol
Molecular Formula C19H19N3O4S
Exact Mass 385.109627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JFqSKGNgf6N
Name methyl 2-{[[(2E)-2-(2-methylbenzylidene)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/C19H19N3O4S/c1-11-6-3-4-7-12(11)10-20-22-17(24)16(23)21-18-15(19(25)26-2)13-8-5-9-14(13)27-18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,21,23)(H,22,24)/b20-10+
InChIKey ZFDJDXGTRRKDOD-KEBDBYFISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21014
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: D51947; Labnumber: NIG-P2045; SBI_ID: SBI-021018
Synonyms methyl 2-{[[2-(2-methylbenzylidene)hydrazino](oxo)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Temperature 318 °C