| SpectraBase Spectrum ID |
DMIHET7Y4C8 |
| Name |
4-Hydroxyphenylacetic acid, ethyl ester, pfp |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.057749645 u |
| Formula |
C13H11F5O4 |
| InChI |
InChI=1S/C13H11F5O4/c1-2-21-10(19)7-8-3-5-9(6-4-8)22-11(20)12(14,15)13(16,17)18/h3-6H,2,7H2,1H3 |
| InChIKey |
RNPXCIVVJZOJHC-UHFFFAOYSA-N |
| Molecular Weight |
326.219 g/mol |
| SMILES |
C1(CC(OCC)=O)=CC=C(C=C1)OC(=O)C(F)(C(F)(F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962958 |
