| SpectraBase Spectrum ID |
9BOI8V9TYuj |
| Name |
N-Propyl 14-methyl-hexadecanoate |
| 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/c1-4-18-22-20(21)17-15-13-11-9-7-6-8-10-12-14-16-19(3)5-2/h19H,4-18H2,1-3H3 |
| InChIKey |
KKZCGEUIWAEKBT-UHFFFAOYSA-N |
| Molecular Weight |
312.538 g/mol |
| SMILES |
C(CCCCCCCCCCCC(CC)C)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963065 |
