SpectraBase Spectrum ID |
HTDK45xaJUp |
Name |
3-[(1Z,5Z)-Pentadeca-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 |
294.219494823 u |
Formula |
C18H30O3 |
InChI |
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-17-18(20)16-19/h10-11,14-15,18-20H,2-9,16-17H2,1H3/b11-10-,15-14- |
InChIKey |
DLSPCSIOTSYWBY-JPTBNZNUSA-N |
SMILES |
C(#C\C=C/CCCCCCCCC)\C=C/OCC(O)CO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842763 |