| SpectraBase Spectrum ID |
11DElxcW12y |
| Name |
Glutaric acid, naphth-2-ylmethyl 3-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.126737251 u |
| Formula |
C22H19FO4 |
| InChI |
InChI=1S/C22H19FO4/c23-19-7-3-8-20(14-19)27-22(25)10-4-9-21(24)26-15-16-11-12-17-5-1-2-6-18(17)13-16/h1-3,5-8,11-14H,4,9-10,15H2 |
| InChIKey |
LYXSNYGHZGLCPB-UHFFFAOYSA-N |
| Molecular Weight |
366.388 g/mol |
| SMILES |
C(CCC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC1=CC=CC(=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83476 |
