| SpectraBase Spectrum ID |
Bo9mDQOQqkC |
| Name |
Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-phenoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.134108260 u |
| Formula |
C21H21F3O5 |
| InChI |
InChI=1S/C21H21F3O5/c1-15(21(22,23)24)28-20(26)12-6-11-19(25)27-14-16-7-5-10-18(13-16)29-17-8-3-2-4-9-17/h2-5,7-10,13,15H,6,11-12,14H2,1H3 |
| InChIKey |
ONVBPOIYIXKSPR-UHFFFAOYSA-N |
| Molecular Weight |
410.389 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919844 |
