| SpectraBase Spectrum ID |
3LeQXvKtFgP |
| Name |
1,3-Propanediol, ethyl hexadecyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.334130655 u |
| Formula |
C21H44O2 |
| InChI |
InChI=1S/C21H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21-18-20-22-4-2/h3-21H2,1-2H3 |
| InChIKey |
JHCSLWDHWPAAFF-UHFFFAOYSA-N |
| Molecular Weight |
328.581 g/mol |
| SMILES |
C(COCC)COCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885262 |
