| SpectraBase Spectrum ID |
89qQTOQD15C |
| Name |
Sebacic acid, 3,5-dichlorophenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.105164649 u |
| Formula |
C18H24Cl2O4 |
| InChI |
InChI=1S/C18H24Cl2O4/c1-2-23-17(21)9-7-5-3-4-6-8-10-18(22)24-16-12-14(19)11-15(20)13-16/h11-13H,2-10H2,1H3 |
| InChIKey |
WTTFKHQOCADWOD-UHFFFAOYSA-N |
| Molecular Weight |
375.292 g/mol |
| SMILES |
C(CCCCC(OC1=CC(=CC(=C1)Cl)Cl)=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865643 |
