| SpectraBase Spectrum ID |
7iNf9b9LL5V |
| Name |
2-[(6-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
529.074168286 u |
| Formula |
C25H18F3N3O3S2 |
| InChI |
InChI=1S/C25H18F3N3O3S2/c26-25(27,28)14-2-1-3-15(9-14)29-19(32)11-35-24-30-17-7-6-16(10-18(17)36-24)31-22(33)20-12-4-5-13(8-12)21(20)23(31)34/h1-7,9-10,12-13,20-21H,8,11H2,(H,29,32) |
| InChIKey |
RWMDITQNAVQVGY-UHFFFAOYSA-N |
| Molecular Weight |
529.552 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_10451 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9253655; Lab Info: LP; Lab Number: LP-0609151 |
![2-[(6-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide](/api/spectrum/7iNf9b9LL5V/structure.png?h=300&w=458 "2-[(6-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide")
