| SpectraBase Spectrum ID |
wJ7YpoRTET |
| Name |
2-Hydroxycinnamic 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 |
456.041940428 u |
| Formula |
C16H10F10O4 |
| InChI |
InChI=1S/C16H10F10O4/c1-8(14(19,20)21)29-11(27)7-6-9-4-2-3-5-10(9)30-12(28)13(17,18)15(22,23)16(24,25)26/h2-8H,1H3/b7-6+ |
| InChIKey |
IGBPTURMNTUTHW-VOTSOKGWSA-N |
| Molecular Weight |
456.236 g/mol |
| SMILES |
C1(=CC=CC=C1\C=C\C(=O)OC(C(F)(F)F)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890165 |
