| SpectraBase Spectrum ID |
5T0dvsblHH6 |
| Name |
4-Hydroxyphenylacetic acid, o-heptafluorobutyryl-, 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 |
444.041940428 u |
| Formula |
C15H10F10O4 |
| InChI |
InChI=1S/C15H10F10O4/c1-7(13(18,19)20)28-10(26)6-8-2-4-9(5-3-8)29-11(27)12(16,17)14(21,22)15(23,24)25/h2-5,7H,6H2,1H3 |
| InChIKey |
JQPSFGDLGCONDK-UHFFFAOYSA-N |
| Molecular Weight |
444.225 g/mol |
| SMILES |
C(CC1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)(OC(C(F)(F)F)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982472 |
