| SpectraBase Spectrum ID |
JQ1ja17Q7Te |
| Name |
Glutaric acid, 2,3-dichlorophenyl phenethyl 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/c20-15-8-4-9-16(19(15)21)25-18(23)11-5-10-17(22)24-13-12-14-6-2-1-3-7-14/h1-4,6-9H,5,10-13H2 |
| InChIKey |
NKCUMQKHGOXIBQ-UHFFFAOYSA-N |
| Molecular Weight |
381.255 g/mol |
| SMILES |
C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847326 |
