| SpectraBase Spectrum ID |
KKWqoklEv7K |
| Name |
Methyl 11-acetoxyhexadecanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-4-5-11-14-18(23-17(2)20)15-12-9-7-6-8-10-13-16-19(21)22-3/h18H,4-16H2,1-3H3 |
| InChIKey |
MGMZJVRGQIUAJY-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(CCC(CCCCCCCCCC(OC)=O)OC(C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931467 |
