| SpectraBase Spectrum ID |
J6L2MByeSny |
| Name |
Valeric acid, 3-pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.302830526 u |
| Formula |
C20H40O2 |
| InChI |
InChI=1S/C20H40O2/c1-4-7-9-10-11-12-13-14-15-16-17-19(6-3)22-20(21)18-8-5-2/h19H,4-18H2,1-3H3 |
| InChIKey |
YXQMGYFXOQUGNK-UHFFFAOYSA-N |
| Molecular Weight |
312.538 g/mol |
| SMILES |
C(CC(OC(CCCCCCCCCCCC)CC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944021 |
