SpectraBase Spectrum ID |
Dap3qrJN435 |
Name |
2-[3-(1-Hydroxycyclohexyl)propyl]-1,3-dioxolane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
214.156894565 u |
Formula |
C12H22O3 |
InChI |
InChI=1S/C12H22O3/c13-12(6-2-1-3-7-12)8-4-5-11-14-9-10-15-11/h11,13H,1-10H2 |
InChIKey |
DSQAHFTYZYLSHM-UHFFFAOYSA-N |
Molecular Weight |
214.305 g/mol |
SMILES |
C1(OCCO1)CCCC1(O)CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857216 |