| SpectraBase Spectrum ID |
4oNJxNfVKSi |
| Name |
2-(4-Amino-3-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, o-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.049411022 u |
| Formula |
C10H8F7NO |
| InChI |
InChI=1S/C10H8F7NO/c1-19-8(9(12,13)14,10(15,16)17)5-2-3-7(18)6(11)4-5/h2-4H,18H2,1H3 |
| InChIKey |
XZLHWKSBWPGWFG-UHFFFAOYSA-N |
| Molecular Weight |
291.169 g/mol |
| SMILES |
C(C(C(F)(F)F)(OC)C1=CC(=C(C=C1)N)F)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928731 |
