| SpectraBase Spectrum ID |
1PaBcOBVFz2 |
| Name |
Succinic acid, 2,4,6-trichlorophenyl 2-propylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.019242123 u |
| Formula |
C19H17Cl3O4 |
| InChI |
InChI=1S/C19H17Cl3O4/c1-2-5-12-6-3-4-7-16(12)25-17(23)8-9-18(24)26-19-14(21)10-13(20)11-15(19)22/h3-4,6-7,10-11H,2,5,8-9H2,1H3 |
| InChIKey |
DEUVMSCZECEJPT-UHFFFAOYSA-N |
| Molecular Weight |
415.700 g/mol |
| SMILES |
C(CC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC=1C(CCC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845757 |
