| SpectraBase Spectrum ID |
CUdUWeGC4jM |
| Name |
Glutaric acid, di(4-chloro-2-methoxyphenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.048043694 u |
| Formula |
C19H18Cl2O6 |
| InChI |
InChI=1S/C19H18Cl2O6/c1-24-16-10-12(20)6-8-14(16)26-18(22)4-3-5-19(23)27-15-9-7-13(21)11-17(15)25-2/h6-11H,3-5H2,1-2H3 |
| InChIKey |
ZNELHFVDPOZCRQ-UHFFFAOYSA-N |
| Molecular Weight |
413.253 g/mol |
| SMILES |
C(CCC(OC1=C(OC)C=C(C=C1)Cl)=O)C(OC1=CC=C(C=C1OC)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938764 |
