| SpectraBase Spectrum ID |
Bnzc5IbogPk |
| Name |
(.+/-.)-dropropizine, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
628.104301346 u |
| Formula |
C21H18F14N2O4 |
| InChI |
InChI=1S/C21H18F14N2O4/c22-16(23,18(26,27)20(30,31)32)14(38)40-11-13(41-15(39)17(24,25)19(28,29)21(33,34)35)10-36-6-8-37(9-7-36)12-4-2-1-3-5-12/h1-5,13H,6-11H2 |
| InChIKey |
PFRXRQBTVXPNRD-UHFFFAOYSA-N |
| Molecular Weight |
628.363 g/mol |
| SMILES |
C(C(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)N1CCN(CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824004 |
