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

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ethyl 2-{[[(2E)-2-(2,4-dichlorobenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID NHaLb86m43
InChI InChI=1S/C21H21Cl2N3O4S/c1-2-30-21(29)17-14-6-4-3-5-7-16(14)31-20(17)25-18(27)19(28)26-24-11-12-8-9-13(22)10-15(12)23/h8-11H,2-7H2,1H3,(H,25,27)(H,26,28)/b24-11+
InChIKey MZXHSTOKCWPMPX-BHGWPJFGSA-N
Mol Weight 482.38 g/mol
Molecular Formula C21H21Cl2N3O4S
Exact Mass 481.062983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JO0gGC6J1N5
Name ethyl 2-{[[(2E)-2-(2,4-dichlorobenzylidene)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/C21H21Cl2N3O4S/c1-2-30-21(29)17-14-6-4-3-5-7-16(14)31-20(17)25-18(27)19(28)26-24-11-12-8-9-13(22)10-15(12)23/h8-11H,2-7H2,1H3,(H,25,27)(H,26,28)/b24-11+
InChIKey MZXHSTOKCWPMPX-BHGWPJFGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21045
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: D51993; Labnumber: NIG-P3556; SBI_ID: SBI-021049
Synonyms ethyl 2-{[[2-(2,4-dichlorobenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Temperature 318 °C