| SpectraBase Spectrum ID |
5vBad0MrZfJ |
| Name |
Ethyl vanillate, o-(trifluoroacetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.055857938 u |
| Formula |
C12H11F3O5 |
| InChI |
InChI=1S/C12H11F3O5/c1-3-19-10(16)7-4-5-8(9(6-7)18-2)20-11(17)12(13,14)15/h4-6H,3H2,1-2H3 |
| InChIKey |
PQXFRMZUWSFXQH-UHFFFAOYSA-N |
| Molecular Weight |
292.210 g/mol |
| SMILES |
C1=C(OC(C(F)(F)F)=O)C(=CC(=C1)C(OCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944383 |
