SpectraBase Spectrum ID |
DeZvSwH3NYe |
Name |
14-Methyl-hexadecane-1,2-diol, isopropylidene |
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/c1-5-18(2)15-13-11-9-7-6-8-10-12-14-16-19-17-21-20(3,4)22-19/h18-19H,5-17H2,1-4H3 |
InChIKey |
NLISAMLNDQXVOO-UHFFFAOYSA-N |
Molecular Weight |
312.538 g/mol |
SMILES |
C(CCCCCCCCCCCC1COC(O1)(C)C)(CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911022 |