| SpectraBase Spectrum ID |
C0uNFaCmJpH |
| Name |
(2R*,4R*)-1,1,1-Trifluoro-4-(4-methoxyphenyl)-4-(methylamino)butan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.113313246 u |
| Formula |
C12H16F3NO2 |
| InChI |
InChI=1S/C12H16F3NO2/c1-16-10(7-11(17)12(13,14)15)8-3-5-9(18-2)6-4-8/h3-6,10-11,16-17H,7H2,1-2H3/t10-,11-/m1/s1 |
| InChIKey |
YKKQKVRMWYCNBL-GHMZBOCLSA-N |
| Molecular Weight |
263.260 g/mol |
| SMILES |
C([C@@](C[C@](C1=CC=C(C=C1)OC)(NC)[H])(O)[H])(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900735 |
