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ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)-2-furyl]-2-propenoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)-2-furyl]-2-propenoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 50SXqzlJJds
InChI InChI=1S/C25H21N3O6S/c1-2-33-25(30)22-19-8-3-4-9-21(19)35-24(22)27-23(29)16(14-26)13-18-10-11-20(34-18)15-6-5-7-17(12-15)28(31)32/h5-7,10-13H,2-4,8-9H2,1H3,(H,27,29)/b16-13+
InChIKey GIHXUMSCKOGNTK-DTQAZKPQSA-N
Mol Weight 491.52 g/mol
Molecular Formula C25H21N3O6S
Exact Mass 491.115107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4tDrsaKEyvG
Name ethyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)-2-furyl]-2-propenoyl}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/C25H21N3O6S/c1-2-33-25(30)22-19-8-3-4-9-21(19)35-24(22)27-23(29)16(14-26)13-18-10-11-20(34-18)15-6-5-7-17(12-15)28(31)32/h5-7,10-13H,2-4,8-9H2,1H3,(H,27,29)/b16-13+
InChIKey GIHXUMSCKOGNTK-DTQAZKPQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5630
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: 121689; Labnumber: VLM0298; VK_ID: VK-005633
Synonyms ethyl 2-({2-cyano-3-[5-(3-nitrophenyl)-2-furyl]-2-propenoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C