| SpectraBase Spectrum ID |
Dao52tGkUC8 |
| Name |
alanine, N-acetyl-2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-3,3,3-trifluoro-, methyl 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 |
375.086447047 u |
| Formula |
C15H16F3N3O3S |
| InChI |
InChI=1S/C15H16F3N3O3S/c1-8(22)20-14(13(23)24-2,15(16,17)18)21-12-10(7-19)9-5-3-4-6-11(9)25-12/h21H,3-6H2,1-2H3,(H,20,22) |
| InChIKey |
DSMCVJNGBHTKCU-UHFFFAOYSA-N |
| Molecular Weight |
375.366 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5130 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9302531; Lab Info: AU; Lab Number: AU-T000613 |
![alanine, N-acetyl-2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-3,3,3-trifluoro-, methyl ester](/api/spectrum/Dao52tGkUC8/structure.png?h=300&w=458 "alanine, N-acetyl-2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-3,3,3-trifluoro-, methyl ester")
