| SpectraBase Spectrum ID |
CQpTsh7GYUT |
| Name |
Hexestrol, o,o'-di(pentafluoropropionyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.120190750 u |
| Formula |
C24H20F10O4 |
| InChI |
InChI=1S/C24H20F10O4/c1-3-17(13-5-9-15(10-6-13)37-19(35)21(25,26)23(29,30)31)18(4-2)14-7-11-16(12-8-14)38-20(36)22(27,28)24(32,33)34/h5-12,17-18H,3-4H2,1-2H3 |
| InChIKey |
TVOMFZKTUAEKBA-UHFFFAOYSA-N |
| Molecular Weight |
562.404 g/mol |
| SMILES |
C1=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)C(CC)C(C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877077 |
