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

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ethyl 2-{[[(2E)-2-(2-methoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID BhlSGzsSiow
InChI InChI=1S/C22H25N3O5S/c1-3-30-22(28)18-15-10-5-4-6-12-17(15)31-21(18)24-19(26)20(27)25-23-13-14-9-7-8-11-16(14)29-2/h7-9,11,13H,3-6,10,12H2,1-2H3,(H,24,26)(H,25,27)/b23-13+
InChIKey XCGZEZWNAJIUTN-YDZHTSKRSA-N
Mol Weight 443.52 g/mol
Molecular Formula C22H25N3O5S
Exact Mass 443.151492 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CRte572Meyx
Name ethyl 2-{[[(2E)-2-(2-methoxybenzylidene)hydrazino](oxo)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/C22H25N3O5S/c1-3-30-22(28)18-15-10-5-4-6-12-17(15)31-21(18)24-19(26)20(27)25-23-13-14-9-7-8-11-16(14)29-2/h7-9,11,13H,3-6,10,12H2,1-2H3,(H,24,26)(H,25,27)/b23-13+
InChIKey XCGZEZWNAJIUTN-YDZHTSKRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21041
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: D51988; Labnumber: NIG-P3447; SBI_ID: SBI-021045
Synonyms ethyl 2-{[[2-(2-methoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Temperature 318 °C