| SpectraBase Spectrum ID |
2mDL6LX1GWv |
| Name |
5-Chlorovaleric acid, 2-tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.232558065 u |
| Formula |
C18H35ClO2 |
| InChI |
InChI=1S/C18H35ClO2/c1-3-4-5-6-7-8-9-10-11-14-17(2)21-18(20)15-12-13-16-19/h17H,3-16H2,1-2H3 |
| InChIKey |
CMCIREZBJQDCSX-UHFFFAOYSA-N |
| Molecular Weight |
318.929 g/mol |
| SMILES |
CC(OC(CCCCCl)=O)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938958 |
