| SpectraBase Spectrum ID |
FTiyO4OCul |
| Name |
alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(phenoxyacetyl)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 |
481.128311859 u |
| Formula |
C22H22F3N3O4S |
| InChI |
InChI=1S/C22H22F3N3O4S/c1-2-31-20(30)21(22(23,24)25,27-18(29)13-32-14-8-4-3-5-9-14)28-19-16(12-26)15-10-6-7-11-17(15)33-19/h3-5,8-9,28H,2,6-7,10-11,13H2,1H3,(H,27,29) |
| InChIKey |
KOUPUFXSSNHEHI-UHFFFAOYSA-N |
| Molecular Weight |
481.490 g/mol |
| NMR Offset |
20.5351 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2525 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9233780; Lab Info: AU; Lab Number: AU-0000683 |
| Temperature |
29.85 °C |
![alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(phenoxyacetyl)amino]-, ethyl ester](/api/spectrum/FTiyO4OCul/structure.png?h=300&w=458 "alanine, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3,3,3-trifluoro-2-[(phenoxyacetyl)amino]-, ethyl ester")
