SpectraBase Spectrum ID |
CdlGde648o9 |
Name |
1,3-Dioxolane, 2-ethyl-2-(5-methoxyheptyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.188194694 u |
Formula |
C13H26O3 |
InChI |
InChI=1S/C13H26O3/c1-4-12(14-3)8-6-7-9-13(5-2)15-10-11-16-13/h12H,4-11H2,1-3H3 |
InChIKey |
PYXVZXBWKIGTNS-UHFFFAOYSA-N |
Molecular Weight |
230.348 g/mol |
SMILES |
C(CCCC(CC)OC)C1(CC)OCCO1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957177 |