| SpectraBase Spectrum ID |
LagIZwxv3ig |
| Name |
alanine, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(1-oxopropyl)amino]-, 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 |
421.128311859 u |
| Formula |
C17H22F3N3O4S |
| InChI |
InChI=1S/C17H22F3N3O4S/c1-3-11(24)22-16(17(18,19)20,15(26)27-4-2)23-14-12(13(21)25)9-7-5-6-8-10(9)28-14/h23H,3-8H2,1-2H3,(H2,21,25)(H,22,24) |
| InChIKey |
CGHJJXRIEKPPAI-UHFFFAOYSA-N |
| Molecular Weight |
421.435 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8291 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9321639; Lab Info: AU; Lab Number: AU-t000753 |
| Temperature |
29.85 °C |
![alanine, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(1-oxopropyl)amino]-, ethyl ester](/api/spectrum/LagIZwxv3ig/structure.png?h=300&w=458 "alanine, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(1-oxopropyl)amino]-, ethyl ester")
