| SpectraBase Spectrum ID |
5qKj4krJR1B |
| Name |
5-Chloropentanoic acid, 6-ethyl-3-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.185607872 u |
| Formula |
C15H29ClO2 |
| InChI |
InChI=1S/C15H29ClO2/c1-4-13(5-2)10-11-14(6-3)18-15(17)9-7-8-12-16/h13-14H,4-12H2,1-3H3 |
| InChIKey |
IOVOTAPGOQVEHA-UHFFFAOYSA-N |
| Molecular Weight |
276.848 g/mol |
| SMILES |
C(OC(CCCCCl)=O)(CCC(CC)CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813007 |
