| SpectraBase Spectrum ID |
63vpdu9WqcU |
| Name |
Sebacic acid, di(2-chloropropyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.136464778 u |
| Formula |
C16H28Cl2O4 |
| InChI |
InChI=1S/C16H28Cl2O4/c1-13(17)11-21-15(19)9-7-5-3-4-6-8-10-16(20)22-12-14(2)18/h13-14H,3-12H2,1-2H3 |
| InChIKey |
RQXYNAROVWNORZ-UHFFFAOYSA-N |
| Molecular Weight |
355.302 g/mol |
| SMILES |
C(CCCC(OCC(C)Cl)=O)CCCCC(OCC(C)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.991166 |
