| SpectraBase Spectrum ID |
7KAlfITMkbW |
| Name |
Diethylmalonic acid, 2-fluorobenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.158037380 u |
| Formula |
C17H23FO4 |
| InChI |
InChI=1S/C17H23FO4/c1-4-11-21-15(19)17(5-2,6-3)16(20)22-12-13-9-7-8-10-14(13)18/h7-10H,4-6,11-12H2,1-3H3 |
| InChIKey |
GXGWPDWKNZPVKP-UHFFFAOYSA-N |
| Molecular Weight |
310.365 g/mol |
| SMILES |
CCC(C(OCCC)=O)(C(OCC1=CC=CC=C1F)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800955 |
