| SpectraBase Spectrum ID |
FP1xUVwQwKv |
| Name |
Pentadecanoic acid, pentyl 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20(21)22-19-17-6-4-2/h3-19H2,1-2H3 |
| InChIKey |
BYZHCMQGXCNGEJ-UHFFFAOYSA-N |
| Molecular Weight |
312.538 g/mol |
| SMILES |
C(CCC(OCCCCC)=O)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925356 |
