| SpectraBase Spectrum ID |
I0xBhokimPH |
| Name |
2-(3-Trifluoromethylbenzenesulfonylamino)propionic acid, N-methyl-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.059563594 u |
| Formula |
C12H14F3NO4S |
| InChI |
InChI=1S/C12H14F3NO4S/c1-8(11(17)20-3)16(2)21(18,19)10-6-4-5-9(7-10)12(13,14)15/h4-8H,1-3H3 |
| InChIKey |
UKECQTLTIYDOFX-UHFFFAOYSA-N |
| Molecular Weight |
325.302 g/mol |
| SMILES |
C(F)(F)(F)C1=CC(=CC=C1)S(=O)(=O)N(C(C)C(=O)OC)C |
