| SpectraBase Spectrum ID |
LLs1ZIsQgl5 |
| Name |
Glutaric acid, naphth-2-ylmethyl 2-chloro-5-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.112836852 u |
| Formula |
C23H21ClO4 |
| InChI |
InChI=1S/C23H21ClO4/c1-16-9-12-20(24)21(13-16)28-23(26)8-4-7-22(25)27-15-17-10-11-18-5-2-3-6-19(18)14-17/h2-3,5-6,9-14H,4,7-8,15H2,1H3 |
| InChIKey |
RYMIZFMTZULDMM-UHFFFAOYSA-N |
| Molecular Weight |
396.870 g/mol |
| SMILES |
C(CCC(OCC1=CC2=CC=CC=C2C=C1)=O)C(OC1=CC(C)=CC=C1Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858413 |
