| SpectraBase Spectrum ID |
F3mQMmjHPO1 |
| Name |
Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
594.032359406 u |
| Formula |
C18H10F16O4 |
| InChI |
InChI=1S/C18H10F16O4/c19-11(20)15(27,28)17(31,32)13(23,24)5-37-9(35)7-2-1-3-8(4-7)10(36)38-6-14(25,26)18(33,34)16(29,30)12(21)22/h1-4,11-12H,5-6H2 |
| InChIKey |
NYOUDFDPEYLGEO-UHFFFAOYSA-N |
| Molecular Weight |
594.248 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809632 |
