SpectraBase Spectrum ID |
LZFPhOe7REU |
Name |
3-thiophenecarboxylic acid, 5-[[[4-(ethoxycarbonyl)phenyl]amino]carbonyl]-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
508.166807798 u |
Formula |
C27H28N2O6S |
InChI |
InChI=1S/C27H28N2O6S/c1-4-34-26(32)19-12-14-20(15-13-19)28-24(31)23-17(3)22(27(33)35-5-2)25(36-23)29-21(30)16-11-18-9-7-6-8-10-18/h6-10,12-15H,4-5,11,16H2,1-3H3,(H,28,31)(H,29,30) |
InChIKey |
DJXXDCKQUJKYJU-UHFFFAOYSA-N |
Molecular Weight |
508.589 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_8039 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9243838; Lab Info: SAS; Lab Number: SAS-TST0947 |
Temperature |
29.85 °C |