| SpectraBase Spectrum ID |
1lFAd0MbWny |
| Name |
3-Hydroxy-4-methoxycinnamic acid, o-heptafluorobutyryl-, 1,1,1-trifluoro-2-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.052505111 u |
| Formula |
C17H12F10O5 |
| InChI |
InChI=1S/C17H12F10O5/c1-8(15(20,21)22)31-12(28)6-4-9-3-5-10(30-2)11(7-9)32-13(29)14(18,19)16(23,24)17(25,26)27/h3-8H,1-2H3/b6-4+ |
| InChIKey |
HRKLVOZRUVBCLU-GQCTYLIASA-N |
| Molecular Weight |
486.262 g/mol |
| SMILES |
C1=C(C=CC(=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)\C=C\C(OC(C(F)(F)F)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80499 |
