| SpectraBase Spectrum ID |
Csm2uMeWDke |
| Name |
3-Cyclopentylpropionic acid, 2-tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.302830526 u |
| Formula |
C21H40O2 |
| InChI |
InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-14-19(2)23-21(22)18-17-20-15-12-13-16-20/h19-20H,3-18H2,1-2H3 |
| InChIKey |
WKWRIGXORFXNQS-UHFFFAOYSA-N |
| Molecular Weight |
324.549 g/mol |
| SMILES |
C1CCC(C1)CCC(OC(CCCCCCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952434 |
