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methyl 2-({oxo[(2E)-2-(3-pyridinylmethylene)hydrazino]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID HPahS0k2MXH
InChI InChI=1S/C18H18N4O4S/c1-26-18(25)14-12-6-2-3-7-13(12)27-17(14)21-15(23)16(24)22-20-10-11-5-4-8-19-9-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,21,23)(H,22,24)/b20-10+
InChIKey RQDKGFCVKDMISN-KEBDBYFISA-N
Mol Weight 386.43 g/mol
Molecular Formula C18H18N4O4S
Exact Mass 386.104876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 38tS6Wbkzb3
Name methyl 2-({oxo[(2E)-2-(3-pyridinylmethylene)hydrazino]acetyl}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/C18H18N4O4S/c1-26-18(25)14-12-6-2-3-7-13(12)27-17(14)21-15(23)16(24)22-20-10-11-5-4-8-19-9-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,21,23)(H,22,24)/b20-10+
InChIKey RQDKGFCVKDMISN-KEBDBYFISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21027
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: D51966; Labnumber: NIG-P2827; SBI_ID: SBI-021031
Synonyms methyl 2-({oxo[2-(3-pyridinylmethylene)hydrazino]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C