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ethyl 2-[((2E)-3-{5-[4-(butoxycarbonyl)phenyl]-2-furyl}-2-cyano-2-propenoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 1W33kn5QgHG
InChI InChI=1S/C31H32N2O6S/c1-4-6-15-38-30(35)21-10-8-20(9-11-21)25-14-12-23(39-25)17-22(18-32)28(34)33-29-27(31(36)37-5-2)24-13-7-19(3)16-26(24)40-29/h8-12,14,17,19H,4-7,13,15-16H2,1-3H3,(H,33,34)/b22-17+
InChIKey HMWCPKXBXOBBCJ-OQKWZONESA-N
Mol Weight 560.7 g/mol
Molecular Formula C31H32N2O6S
Exact Mass 560.198108 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID hjZAhswK1n
Name ethyl 2-[((2E)-3-{5-[4-(butoxycarbonyl)phenyl]-2-furyl}-2-cyano-2-propenoyl)amino]-6-methyl-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/C31H32N2O6S/c1-4-6-15-38-30(35)21-10-8-20(9-11-21)25-14-12-23(39-25)17-22(18-32)28(34)33-29-27(31(36)37-5-2)24-13-7-19(3)16-26(24)40-29/h8-12,14,17,19H,4-7,13,15-16H2,1-3H3,(H,33,34)/b22-17+
InChIKey HMWCPKXBXOBBCJ-OQKWZONESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14690
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: C25981; Labnumber: MAT3-0013; SBI_ID: SBI-014693
Synonyms ethyl 2-[(3-{5-[4-(butoxycarbonyl)phenyl]-2-furyl}-2-cyano-2-propenoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C