SpectraBase Spectrum ID |
F4aDK50Voae |
Name |
3-[(1Z,5Z)-Tetradeca-1,5-dien-3-ynoxy]propane-1,2-diol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.203844759 u |
Formula |
C17H28O3 |
InChI |
InChI=1S/C17H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h9-10,13-14,17-19H,2-8,15-16H2,1H3/b10-9-,14-13- |
InChIKey |
BPDWNJUQPWBHGB-KWUOUXIESA-N |
SMILES |
C(#C\C=C/CCCCCCCC)\C=C/OCC(O)CO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844472 |