| SpectraBase Spectrum ID |
48cnt7ovx9i |
| Name |
N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-beta-alanine |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.989291133 u |
| Formula |
C10H9ClF3NO4S |
| InChI |
InChI=1S/C10H9ClF3NO4S/c11-8-2-1-6(5-7(8)10(12,13)14)20(18,19)15-4-3-9(16)17/h1-2,5,15H,3-4H2,(H,16,17) |
| InChIKey |
LESWHGIWOFMIHL-UHFFFAOYSA-N |
| Molecular Weight |
331.693 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_2616 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12279715 |
![N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-beta-alanine](/api/spectrum/48cnt7ovx9i/structure.png?h=300&w=458 "N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-beta-alanine")
