| SpectraBase Spectrum ID |
GJ4Ti8f0O6r |
| Name |
Isoxsuprine 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 |
589.114690829 u |
| Formula |
C24H20F9NO6 |
| InChI |
InChI=1S/C24H20F9NO6/c1-13(12-38-16-6-4-3-5-7-16)34(19(35)22(25,26)27)14(2)18(40-21(37)24(31,32)33)15-8-10-17(11-9-15)39-20(36)23(28,29)30/h3-11,13-14,18H,12H2,1-2H3 |
| InChIKey |
KWDQGGRVPMBFJL-UHFFFAOYSA-N |
| Molecular Weight |
589.411 g/mol |
| SMILES |
C1(OCC(N(C(C)C(OC(C(F)(F)F)=O)C2=CC=C(C=C2)OC(=O)C(F)(F)F)C(C(F)(F)F)=O)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822407 |
