| SpectraBase Spectrum ID |
GjIKLCiZjQJ |
| Name |
3-Hydroxy-4-methoxycinnamic acid, o-pentafluoropropionyl-, 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 |
436.055698785 u |
| Formula |
C16H12F8O5 |
| InChI |
InChI=1S/C16H12F8O5/c1-8(15(19,20)21)28-12(25)6-4-9-3-5-10(27-2)11(7-9)29-13(26)14(17,18)16(22,23)24/h3-8H,1-2H3/b6-4+ |
| InChIKey |
ZZDATWCMOAJKSK-GQCTYLIASA-N |
| Molecular Weight |
436.254 g/mol |
| SMILES |
C1=C(C=CC(=C1OC(C(C(F)(F)F)(F)F)=O)OC)\C=C\C(OC(C(F)(F)F)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920985 |
