| SpectraBase Spectrum ID |
LQMnkMyGlgu |
| Name |
Glutaric acid, naphth-2-ylmethyl 2-methyl-4-chlorophenyl 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/c1-16-13-20(24)11-12-21(16)28-23(26)8-4-7-22(25)27-15-17-9-10-18-5-2-3-6-19(18)14-17/h2-3,5-6,9-14H,4,7-8,15H2,1H3 |
| InChIKey |
KZONOCKYRQJVHR-UHFFFAOYSA-N |
| Molecular Weight |
396.870 g/mol |
| SMILES |
C(CCC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC1=CC=C(C=C1C)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878955 |
