| SpectraBase Spectrum ID |
ETB5ZlBGDXd |
| Name |
16-Methyl-heptadecane-1,2-diol, isopropylidene derivative |
| 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/c1-19(2)16-14-12-10-8-6-5-7-9-11-13-15-17-20-18-22-21(3,4)23-20/h19-20H,5-18H2,1-4H3 |
| InChIKey |
KEEBDRWAHRUZHX-UHFFFAOYSA-N |
| Molecular Weight |
326.565 g/mol |
| SMILES |
CC(CCCCCCCCCCCCCC1COC(O1)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905807 |
