| SpectraBase Spectrum ID |
8BW9FgxPUS9 |
| Name |
1-Methylbutyl hexadecanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.318480590 u |
| Formula |
C21H42O2 |
| InChI |
InChI=1S/C21H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-21(22)23-20(3)18-5-2/h20H,4-19H2,1-3H3 |
| InChIKey |
DZMWBZBWVLFIGD-UHFFFAOYSA-N |
| Molecular Weight |
326.565 g/mol |
| SMILES |
C(CCCCCCC(OC(CCC)C)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9043 |
