| SpectraBase Spectrum ID |
KC9ETTkuQ0Y |
| Name |
alanine, N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-[(ethoxycarbonyl)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 |
407.112661795 u |
| Formula |
C16H20F3N3O4S |
| InChI |
InChI=1S/C16H20F3N3O4S/c1-5-10-9(4)27-12(11(10)8-20)21-15(16(17,18)19,13(23)25-6-2)22-14(24)26-7-3/h21H,5-7H2,1-4H3,(H,22,24) |
| InChIKey |
QRNKZGOCNUELPG-UHFFFAOYSA-N |
| Molecular Weight |
407.408 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5336 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9302505; Lab Info: AU; Lab Number: AU-EC00919 |
![alanine, N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, ethyl ester](/api/spectrum/KC9ETTkuQ0Y/structure.png?h=300&w=458 "alanine, N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, ethyl ester")
