SpectraBase Spectrum ID |
CcqAyEcg8Gj |
Name |
(1,2R)-Epoxy-3S-tridecanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
214.193280075 u |
Formula |
C13H26O2 |
InChI |
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)13-11-15-13/h12-14H,2-11H2,1H3/t12-,13+/m0/s1 |
InChIKey |
LGZFFGLHTVVJLY-QWHCGFSZSA-N |
Molecular Weight |
214.349 g/mol |
SMILES |
[C@@]1([C@@](O)(CCCCCCCCCC)[H])(CO1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86666 |