SpectraBase Spectrum ID |
IcNJuaan5WF |
Name |
3-thiophenecarboxylic acid, 2-[(2-chloro-4,5-difluorobenzoyl)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 |
421.035098512 u |
Formula |
C20H14ClF2NO3S |
InChI |
InChI=1S/C20H14ClF2NO3S/c1-2-27-20(26)17-13(11-6-4-3-5-7-11)10-28-19(17)24-18(25)12-8-15(22)16(23)9-14(12)21/h3-10H,2H2,1H3,(H,24,25) |
InChIKey |
ZOUAWCQQQLJAJE-UHFFFAOYSA-N |
Molecular Weight |
421.846 g/mol |
NMR Offset |
17.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_5386 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9253359; Lab Info: PNA; Lab Number: PNA-NA00414 |