| SpectraBase Spectrum ID |
8MjnnO4DQGg |
| Name |
4-[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]-4-heptanol |
| 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/c1-4-6-13(14,7-5-2)9-8-12(3)15-10-11-16-12/h14H,4-11H2,1-3H3 |
| InChIKey |
CWUCAGXILSVBSN-UHFFFAOYSA-N |
| Molecular Weight |
230.348 g/mol |
| SMILES |
C1(OCCO1)(CCC(O)(CCC)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9633 |
![4-[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]-4-heptanol](/api/spectrum/8MjnnO4DQGg/structure.png?h=300&w=458 "4-[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]-4-heptanol")
