| SpectraBase Spectrum ID |
Gop19R745CD |
| Name |
4,4'-Methylenedi-2,6-xylenol, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
648.098153338 u |
| Formula |
C25H18F14O4 |
| InChI |
InChI=1S/C25H18F14O4/c1-10-5-14(6-11(2)16(10)42-18(40)20(26,27)22(30,31)24(34,35)36)9-15-7-12(3)17(13(4)8-15)43-19(41)21(28,29)23(32,33)25(37,38)39/h5-8H,9H2,1-4H3 |
| InChIKey |
RFNDJJJJSAZANL-UHFFFAOYSA-N |
| Molecular Weight |
648.393 g/mol |
| SMILES |
C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C=C1C)CC1=CC(=C(C(=C1)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917818 |
