SpectraBase Spectrum ID |
BPA0qSqzYM0 |
Name |
(R)-3-Heptadec-16-enyloxy-propane-1,2-diol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
328.297745145 u |
Formula |
C20H40O3 |
InChI |
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(22)18-21/h2,20-22H,1,3-19H2/t20-/m1/s1 |
InChIKey |
UIIYQJLVVOWSPG-HXUWFJFHSA-N |
Molecular Weight |
328.537 g/mol |
SMILES |
C(=C)CCCCCCCCCCCCCCCOC[C@](O)(CO)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931933 |