| SpectraBase Spectrum ID |
BLzCWLKX7ry |
| Name |
Ethyl trans-caffeate, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
600.025382318 u |
| Formula |
C19H10F14O6 |
| InChI |
InChI=1S/C19H10F14O6/c1-2-37-11(34)6-4-8-3-5-9(38-12(35)14(20,21)16(24,25)18(28,29)30)10(7-8)39-13(36)15(22,23)17(26,27)19(31,32)33/h3-7H,2H2,1H3/b6-4+ |
| InChIKey |
DOCUQWSSQKZTDP-GQCTYLIASA-N |
| Molecular Weight |
600.261 g/mol |
| SMILES |
C(\C=C\C1=CC(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869288 |
