| SpectraBase Spectrum ID |
LmaiU6zTQ1T |
| Name |
Methyl vanillate, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.040207874 u |
| Formula |
C11H9F3O5 |
| InChI |
InChI=1S/C11H9F3O5/c1-17-8-5-6(9(15)18-2)3-4-7(8)19-10(16)11(12,13)14/h3-5H,1-2H3 |
| InChIKey |
VGMLVIHAWAVJOZ-UHFFFAOYSA-N |
| Molecular Weight |
278.183 g/mol |
| SMILES |
C(C1=CC(OC)=C(C=C1)OC(C(F)(F)F)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957581 |
