| SpectraBase Spectrum ID |
6YHxQmy2YL4 |
| Name |
alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]-, 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 |
391.081361666 u |
| Formula |
C15H16F3N3O4S |
| InChI |
InChI=1S/C15H16F3N3O4S/c1-24-12(22)14(15(16,17)18,21-13(23)25-2)20-11-9(7-19)8-5-3-4-6-10(8)26-11/h20H,3-6H2,1-2H3,(H,21,23) |
| InChIKey |
ARMUQQRVFFFKCQ-UHFFFAOYSA-N |
| Molecular Weight |
391.365 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5604 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9290895; Lab Info: AU; Lab Number: AU-EC00514 |
![alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]-, methyl ester](/api/spectrum/6YHxQmy2YL4/structure.png?h=300&w=458 "alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]-, methyl ester")
