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

*Links on SpectraBase are not permalinks.
methyl 2-[((2E)-2-cyano-3-{2-[(2-fluorobenzyl)oxy]phenyl}-2-propenoyl)amino]-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 9TTTxsMKiI7
InChI InChI=1S/C27H24FN3O5S/c1-16-22(27(34)35-4)25(37-23(16)26(33)31(2)3)30-24(32)19(14-29)13-17-9-6-8-12-21(17)36-15-18-10-5-7-11-20(18)28/h5-13H,15H2,1-4H3,(H,30,32)/b19-13+
InChIKey HNHYSVPPDRSJIN-CPNJWEJPSA-N
Mol Weight 521.56 g/mol
Molecular Formula C27H24FN3O5S
Exact Mass 521.14207 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 ETTdD0LImys
Name methyl 2-[((2E)-2-cyano-3-{2-[(2-fluorobenzyl)oxy]phenyl}-2-propenoyl)amino]-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
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/C27H24FN3O5S/c1-16-22(27(34)35-4)25(37-23(16)26(33)31(2)3)30-24(32)19(14-29)13-17-9-6-8-12-21(17)36-15-18-10-5-7-11-20(18)28/h5-13H,15H2,1-4H3,(H,30,32)/b19-13+
InChIKey HNHYSVPPDRSJIN-CPNJWEJPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6653
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: UZI/1265912; Labnumber: COL3053; UZI_ID: UZI-006655
Synonyms methyl 2-[(2-cyano-3-{2-[(2-fluorobenzyl)oxy]phenyl}-2-propenoyl)amino]-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
Temperature 308 °C