| SpectraBase Spectrum ID |
4EbHIBCl06F |
| Name |
Glutaric acid, di(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 |
380.058214456 u |
| Formula |
C19H18Cl2O4 |
| InChI |
InChI=1S/C19H18Cl2O4/c1-12-6-8-14(20)16(10-12)24-18(22)4-3-5-19(23)25-17-11-13(2)7-9-15(17)21/h6-11H,3-5H2,1-2H3 |
| InChIKey |
MKTYSQOZKQLKGN-UHFFFAOYSA-N |
| Molecular Weight |
381.255 g/mol |
| SMILES |
C1(OC(=O)CCCC(OC2=CC(=CC=C2Cl)C)=O)=CC(C)=CC=C1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866808 |
