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ethyl 2-({oxo[(2E)-2-(3-phenylpropylidene)hydrazino]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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ethyl 2-({oxo[(2E)-2-(3-phenylpropylidene)hydrazino]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID LCe2hjzdWJK
InChI InChI=1S/C23H27N3O4S/c1-2-30-23(29)19-17-13-7-4-8-14-18(17)31-22(19)25-20(27)21(28)26-24-15-9-12-16-10-5-3-6-11-16/h3,5-6,10-11,15H,2,4,7-9,12-14H2,1H3,(H,25,27)(H,26,28)/b24-15+
InChIKey DFIGIVDLKJSBTF-BUVRLJJBSA-N
Mol Weight 441.55 g/mol
Molecular Formula C23H27N3O4S
Exact Mass 441.172228 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GQeFWaPHtH2
Name ethyl 2-({oxo[(2E)-2-(3-phenylpropylidene)hydrazino]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[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/C23H27N3O4S/c1-2-30-23(29)19-17-13-7-4-8-14-18(17)31-22(19)25-20(27)21(28)26-24-15-9-12-16-10-5-3-6-11-16/h3,5-6,10-11,15H,2,4,7-9,12-14H2,1H3,(H,25,27)(H,26,28)/b24-15+
InChIKey DFIGIVDLKJSBTF-BUVRLJJBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21044
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: D51992; Labnumber: NIG-P3465; SBI_ID: SBI-021048
Synonyms ethyl 2-({oxo[2-(3-phenylpropylidene)hydrazino]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Temperature 318 °C