| SpectraBase Spectrum ID |
ISpLUMdEdmE |
| Name |
alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(1-oxopentyl)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 |
431.149047305 u |
| Formula |
C19H24F3N3O3S |
| InChI |
InChI=1S/C19H24F3N3O3S/c1-3-5-10-15(26)24-18(19(20,21)22,17(27)28-4-2)25-16-13(11-23)12-8-6-7-9-14(12)29-16/h25H,3-10H2,1-2H3,(H,24,26) |
| InChIKey |
KJNMVACUDHDZOI-UHFFFAOYSA-N |
| Molecular Weight |
431.474 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11470 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10261450; Lab Info: AU; Lab Number: AU-ES01054 |
![alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(1-oxopentyl)amino]-, ethyl ester](/api/spectrum/ISpLUMdEdmE/structure.png?h=300&w=458 "alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(1-oxopentyl)amino]-, ethyl ester")
