| SpectraBase Spectrum ID |
AZHCGgphn4e |
| Name |
(3-Hydroxy-4-methoxyphenyl)ethylene glycol tris(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
622.010875068 u |
| Formula |
C18H9F15O7 |
| InChI |
InChI=1S/C18H9F15O7/c1-37-7-3-2-6(4-8(7)39-11(35)14(21,22)17(28,29)30)9(40-12(36)15(23,24)18(31,32)33)5-38-10(34)13(19,20)16(25,26)27/h2-4,9H,5H2,1H3 |
| InChIKey |
PUMDTSDYSNXEIY-UHFFFAOYSA-N |
| Molecular Weight |
622.239 g/mol |
| SMILES |
C1(=CC(=CC=C1OC)C(OC(=O)C(F)(F)C(F)(F)F)COC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929466 |
