| SpectraBase Spectrum ID |
1CyFlTWYtGO |
| Name |
(R)-(-)-phenylephrine, N,o,o'-tris(trifluoroacetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.041525888 u |
| Formula |
C15H10F9NO5 |
| InChI |
InChI=1S/C15H10F9NO5/c1-25(10(26)13(16,17)18)6-9(30-12(28)15(22,23)24)7-3-2-4-8(5-7)29-11(27)14(19,20)21/h2-5,9H,6H2,1H3 |
| InChIKey |
QYPIRWFFWZEKIP-UHFFFAOYSA-N |
| Molecular Weight |
455.233 g/mol |
| SMILES |
C(CN(C)C(C(F)(F)F)=O)(OC(C(F)(F)F)=O)C1=CC(OC(C(F)(F)F)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878904 |
