| SpectraBase Spectrum ID |
mi3TuzNknN |
| Name |
Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-chlorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.068921180 u |
| Formula |
C15H16ClF3O4 |
| InChI |
InChI=1S/C15H16ClF3O4/c1-10(15(17,18)19)23-14(21)4-2-3-13(20)22-9-11-5-7-12(16)8-6-11/h5-8,10H,2-4,9H2,1H3 |
| InChIKey |
NNJXINGABOFNOQ-UHFFFAOYSA-N |
| Molecular Weight |
352.737 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OCC1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887753 |
