| SpectraBase Spectrum ID |
698aeMNlTei |
| Name |
Glutaric acid, naphth-2-ylmethyl 4-fluoro-2-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.137301934 u |
| Formula |
C23H21FO5 |
| InChI |
InChI=1S/C23H21FO5/c1-27-21-14-19(24)11-12-20(21)29-23(26)8-4-7-22(25)28-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-3,5-6,9-14H,4,7-8,15H2,1H3 |
| InChIKey |
FUAMMMQROHURBX-UHFFFAOYSA-N |
| Molecular Weight |
396.414 g/mol |
| SMILES |
C(CCC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC1=C(OC)C=C(C=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89006 |
