| SpectraBase Spectrum ID |
L40yB737UPl |
| Name |
alanine, N-benzoyl-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-, 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 |
439.117747176 u |
| Formula |
C20H20F3N3O3S |
| InChI |
InChI=1S/C20H20F3N3O3S/c1-4-14-12(3)30-17(15(14)11-24)26-19(20(21,22)23,18(28)29-5-2)25-16(27)13-9-7-6-8-10-13/h6-10,26H,4-5H2,1-3H3,(H,25,27) |
| InChIKey |
WJVYYAIXJODQGY-UHFFFAOYSA-N |
| Molecular Weight |
439.453 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5602 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9290726; Lab Info: AU; Lab Number: AU-0000458 |
![alanine, N-benzoyl-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-, ethyl ester](/api/spectrum/L40yB737UPl/structure.png?h=300&w=458 "alanine, N-benzoyl-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-, ethyl ester")
