| SpectraBase Spectrum ID |
3dglxYS1gBz |
| Name |
Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.118458196 u |
| Formula |
C16H19F3O5 |
| InChI |
InChI=1S/C16H19F3O5/c1-11(16(17,18)19)24-15(21)5-3-4-14(20)23-10-12-6-8-13(22-2)9-7-12/h6-9,11H,3-5,10H2,1-2H3 |
| InChIKey |
OVPJNYAQFNRYRP-UHFFFAOYSA-N |
| Molecular Weight |
348.318 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OCC1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816694 |
