| SpectraBase Spectrum ID |
HpS8g7TLThb |
| Name |
Ethyl vanillate, o-(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.049470590 u |
| Formula |
C14H11F7O5 |
| InChI |
InChI=1S/C14H11F7O5/c1-3-25-10(22)7-4-5-8(9(6-7)24-2)26-11(23)12(15,16)13(17,18)14(19,20)21/h4-6H,3H2,1-2H3 |
| InChIKey |
CPNYWOZDXURZAT-UHFFFAOYSA-N |
| Molecular Weight |
392.226 g/mol |
| SMILES |
C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=CC(=C1)C(OCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950416 |
