| SpectraBase Spectrum ID |
KytdnFTKJBf |
| Name |
2-(4-Hydroxy-3-methoxyphenyl)-2-ethoxyacetic acid, ethyl ester, pfp |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.094529076 u |
| Formula |
C16H17F5O6 |
| InChI |
InChI=1S/C16H17F5O6/c1-4-25-12(13(22)26-5-2)9-6-7-10(11(8-9)24-3)27-14(23)15(17,18)16(19,20)21/h6-8,12H,4-5H2,1-3H3 |
| InChIKey |
BUCZRACFLXKWED-UHFFFAOYSA-N |
| Molecular Weight |
400.298 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(=O)C(F)(F)C(F)(F)F)C(OCC)C(OCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966546 |
