| SpectraBase Spectrum ID |
3xhZVOcv2bS |
| Name |
2-Hydroxyphenylacetic acid, o-pentafluoropropionyl-, 1,1,1-trifluoro-2-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.045134102 u |
| Formula |
C14H10F8O4 |
| InChI |
InChI=1S/C14H10F8O4/c1-7(13(17,18)19)25-10(23)6-8-4-2-3-5-9(8)26-11(24)12(15,16)14(20,21)22/h2-5,7H,6H2,1H3 |
| InChIKey |
VFZRJHBKSPZSLX-UHFFFAOYSA-N |
| Molecular Weight |
394.217 g/mol |
| SMILES |
C1(=CC=CC=C1CC(=O)OC(C(F)(F)F)C)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972552 |
