| SpectraBase Spectrum ID |
3HpSPdbt626 |
| Name |
5-Chlorovaleric acid, 5-pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.263858194 u |
| Formula |
C20H39ClO2 |
| InChI |
InChI=1S/C20H39ClO2/c1-3-5-7-8-9-10-11-12-16-19(15-6-4-2)23-20(22)17-13-14-18-21/h19H,3-18H2,1-2H3 |
| InChIKey |
WRDBNJHXOVIVGG-UHFFFAOYSA-N |
| Molecular Weight |
346.983 g/mol |
| SMILES |
CCCCCCCCCCC(OC(CCCCCl)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949839 |
