For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

methyl 2-{[{(2E)-2-[4-(methoxycarbonyl)benzylidene]hydrazino}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

methyl 2-{[{(2E)-2-[4-(methoxycarbonyl)benzylidene]hydrazino}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2Ab7Jle5JRE
InChI InChI=1S/C21H21N3O6S/c1-29-20(27)13-9-7-12(8-10-13)11-22-24-18(26)17(25)23-19-16(21(28)30-2)14-5-3-4-6-15(14)31-19/h7-11H,3-6H2,1-2H3,(H,23,25)(H,24,26)/b22-11+
InChIKey GOQKOBJBKXENAQ-SSDVNMTOSA-N
Mol Weight 443.47 g/mol
Molecular Formula C21H21N3O6S
Exact Mass 443.115107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GdLZvQAoXaV
Name methyl 2-{[{(2E)-2-[4-(methoxycarbonyl)benzylidene]hydrazino}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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/C21H21N3O6S/c1-29-20(27)13-9-7-12(8-10-13)11-22-24-18(26)17(25)23-19-16(21(28)30-2)14-5-3-4-6-15(14)31-19/h7-11H,3-6H2,1-2H3,(H,23,25)(H,24,26)/b22-11+
InChIKey GOQKOBJBKXENAQ-SSDVNMTOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21195
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: D51885; Labnumber: NIG-P0179; SBI_ID: SBI-021199
Synonyms methyl 2-{[{2-[4-(methoxycarbonyl)benzylidene]hydrazino}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C