| SpectraBase Spectrum ID |
FXR22pXUZcD |
| Name |
Methyl 3-(3,4-bis(heptafluorobutyryl)oxyphenyl)prop-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
586.009732254 u |
| Formula |
C18H8F14O6 |
| InChI |
InChI=1S/C18H8F14O6/c1-36-10(33)5-3-7-2-4-8(37-11(34)13(19,20)15(23,24)17(27,28)29)9(6-7)38-12(35)14(21,22)16(25,26)18(30,31)32/h2-6H,1H3/b5-3+ |
| InChIKey |
WABWXSQEXYQJSG-HWKANZROSA-N |
| Molecular Weight |
586.234 g/mol |
| SMILES |
C1=CC(\C=C\C(=O)OC)=CC(=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951902 |
