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

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ethyl 2-{[[(2E)-2-(4-ethoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 6cET8YlfIHd
InChI InChI=1S/C23H27N3O5S/c1-3-30-16-12-10-15(11-13-16)14-24-26-21(28)20(27)25-22-19(23(29)31-4-2)17-8-6-5-7-9-18(17)32-22/h10-14H,3-9H2,1-2H3,(H,25,27)(H,26,28)/b24-14+
InChIKey BPPOZWNTDRVDPS-ZVHZXABRSA-N
Mol Weight 457.55 g/mol
Molecular Formula C23H27N3O5S
Exact Mass 457.167142 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3VNrJGeZcEG
Name ethyl 2-{[[(2E)-2-(4-ethoxybenzylidene)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/C23H27N3O5S/c1-3-30-16-12-10-15(11-13-16)14-24-26-21(28)20(27)25-22-19(23(29)31-4-2)17-8-6-5-7-9-18(17)32-22/h10-14H,3-9H2,1-2H3,(H,25,27)(H,26,28)/b24-14+
InChIKey BPPOZWNTDRVDPS-ZVHZXABRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21199
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: D51891; Labnumber: NIG-P0319; SBI_ID: SBI-021203
Synonyms ethyl 2-{[[2-(4-ethoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Temperature 318 °C