| SpectraBase Spectrum ID |
4J5YfKLTUQS |
| Name |
bis(Pentafluorophenyl) 5-(benzyloxy)isophthalate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
604.036855047 u |
| Formula |
C27H10F10O5 |
| InChI |
InChI=1S/C27H10F10O5/c28-14-16(30)20(34)24(21(35)17(14)31)41-26(38)11-6-12(8-13(7-11)40-9-10-4-2-1-3-5-10)27(39)42-25-22(36)18(32)15(29)19(33)23(25)37/h1-8H,9H2 |
| InChIKey |
VZCPOCSUZCXDCN-UHFFFAOYSA-N |
| Molecular Weight |
604.356 g/mol |
| SMILES |
C1(=C(C(F)=C(C(=C1F)F)F)F)OC(C=1C=C(C(OC=2C(=C(F)C(=C(C2F)F)F)F)=O)C=C(C1)OCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869532 |
