| SpectraBase Spectrum ID |
4jGphu28jRW |
| Name |
2,2,4-Trimethyl-4-(4-hydroxyphenyl)chroman, pentafluoropropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.125435284 u |
| Formula |
C21H19F5O3 |
| InChI |
InChI=1S/C21H19F5O3/c1-18(2)12-19(3,15-6-4-5-7-16(15)29-18)13-8-10-14(11-9-13)28-17(27)20(22,23)21(24,25)26/h4-11H,12H2,1-3H3 |
| InChIKey |
QFNWUIKPTWEUSB-UHFFFAOYSA-N |
| Molecular Weight |
414.372 g/mol |
| SMILES |
C1(OC2=C(C(C1)(C)C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)C=CC=C2)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923975 |
