| SpectraBase Spectrum ID |
CeZ91aYP8ZC |
| Name |
2-(4-Amino-3-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, N,o-diacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.054890324 u |
| Formula |
C13H10F7NO3 |
| InChI |
InChI=1S/C13H10F7NO3/c1-6(22)21-10-4-3-8(5-9(10)14)11(12(15,16)17,13(18,19)20)24-7(2)23/h3-5H,1-2H3,(H,21,22) |
| InChIKey |
FRHIXLXMQPIWNC-UHFFFAOYSA-N |
| Molecular Weight |
361.216 g/mol |
| SMILES |
C(C(C(F)(F)F)(OC(C)=O)C1=CC(=C(C=C1)NC(C)=O)F)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845718 |
