| SpectraBase Spectrum ID |
DJCuYDMPsVd |
| Name |
Isopropyl-methyl-[(1S)-1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylphenyl]ethyl]amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.116684549 u |
| Formula |
C15H20F3NO2S |
| InChI |
InChI=1S/C15H20F3NO2S/c1-11(2)19(4)12(3)13-7-5-6-8-14(13)22(20,21)10-9-15(16,17)18/h5-12H,1-4H3/b10-9+/t12-/m0/s1 |
| InChIKey |
YPEKWJRWAUMOIL-VMPCVLLUSA-N |
| Molecular Weight |
335.385 g/mol |
| SMILES |
C1(S(\C=C\C(F)(F)F)(=O)=O)=C([C@@](N(C(C)C)C)(C)[H])C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829766 |
![isopropyl-methyl-[(1S)-1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylphenyl]ethyl]amine](/api/spectrum/DJCuYDMPsVd/structure.png?h=300&w=458 "isopropyl-methyl-[(1S)-1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylphenyl]ethyl]amine")
