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ethyl 2-{[{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}(oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 8lKPgenRtR4
InChI InChI=1S/C23H27N3O5S/c1-4-31-23(29)19-17-8-6-5-7-9-18(17)32-22(19)24-20(27)21(28)26-25-14(2)15-10-12-16(30-3)13-11-15/h10-13H,4-9H2,1-3H3,(H,24,27)(H,26,28)/b25-14+
InChIKey HWDHSWJZBUGTCI-AFUMVMLFSA-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 JjPHeCyKIJK
Name ethyl 2-{[{(2E)-2-[1-(4-methoxyphenyl)ethylidene]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/c1-4-31-23(29)19-17-8-6-5-7-9-18(17)32-22(19)24-20(27)21(28)26-25-14(2)15-10-12-16(30-3)13-11-15/h10-13H,4-9H2,1-3H3,(H,24,27)(H,26,28)/b25-14+
InChIKey HWDHSWJZBUGTCI-AFUMVMLFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21024
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: D51962; Labnumber: NIG-P2664; SBI_ID: SBI-021028
Synonyms ethyl 2-{[{2-[1-(4-methoxyphenyl)ethylidene]hydrazino}(oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Temperature 318 °C