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

*Links on SpectraBase are not permalinks.
3-thiophenecarboxylic acid, 2-[[(2,4-difluorophenoxy)acetyl]amino]-4-phenyl-, ethyl ester
SpectraBase Compound ID G8GC76I5wsf
InChI InChI=1S/C21H17F2NO4S/c1-2-27-21(26)19-15(13-6-4-3-5-7-13)12-29-20(19)24-18(25)11-28-17-9-8-14(22)10-16(17)23/h3-10,12H,2,11H2,1H3,(H,24,25)
InChIKey CMCTVEWDKFBWOI-UHFFFAOYSA-N
Mol Weight 417.43 g/mol
Molecular Formula C21H17F2NO4S
Exact Mass 417.084636 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 1E2cVX3ibNR
Name 3-thiophenecarboxylic acid, 2-[[(2,4-difluorophenoxy)acetyl]amino]-4-phenyl-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.084635527 u
Formula C21H17F2NO4S
InChI InChI=1S/C21H17F2NO4S/c1-2-27-21(26)19-15(13-6-4-3-5-7-13)12-29-20(19)24-18(25)11-28-17-9-8-14(22)10-16(17)23/h3-10,12H,2,11H2,1H3,(H,24,25)
InChIKey CMCTVEWDKFBWOI-UHFFFAOYSA-N
Molecular Weight 417.427 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13604
Solvent DMSO-d6
Source Vendor ID: ZI/10028159; Lab Info: PNA; Lab Number: PNA-1991814