| SpectraBase Spectrum ID |
3nPxPNHURTW |
| Name |
Ethyl vanillate, o-(pentafluoropropionyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.052664264 u |
| Formula |
C13H11F5O5 |
| InChI |
InChI=1S/C13H11F5O5/c1-3-22-10(19)7-4-5-8(9(6-7)21-2)23-11(20)12(14,15)13(16,17)18/h4-6H,3H2,1-2H3 |
| InChIKey |
PTWPEQFDWQBHGB-UHFFFAOYSA-N |
| Molecular Weight |
342.218 g/mol |
| SMILES |
C1=C(OC(C(C(F)(F)F)(F)F)=O)C(=CC(=C1)C(OCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962552 |
