| SpectraBase Spectrum ID |
BB6x0k8Kuj5 |
| Name |
alanine, N-(4-chlorobenzoyl)-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 |
471.063124779 u |
| Formula |
C20H17ClF3N3O3S |
| InChI |
InChI=1S/C20H17ClF3N3O3S/c1-30-18(29)19(20(22,23)24,26-16(28)11-6-8-12(21)9-7-11)27-17-14(10-25)13-4-2-3-5-15(13)31-17/h6-9,27H,2-5H2,1H3,(H,26,28) |
| InChIKey |
NZUYQFLYUAMMEW-UHFFFAOYSA-N |
| Molecular Weight |
471.882 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8296 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9321647; Lab Info: AU; Lab Number: AU-t000762 |
| Temperature |
29.85 °C |
![alanine, N-(4-chlorobenzoyl)-2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-3,3,3-trifluoro-, methyl ester](/api/spectrum/BB6x0k8Kuj5/structure.png?h=300&w=458 "alanine, N-(4-chlorobenzoyl)-2-[(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-3,3,3-trifluoro-, methyl ester")
