| SpectraBase Spectrum ID |
8KFY9BvFLr3 |
| Name |
(E)-2-(3-Hydroxy-3-methylbutynyl)-2-isopropyl-1,3-dioxolane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.125594437 u |
| Formula |
C11H18O3 |
| InChI |
InChI=1S/C11H18O3/c1-9(2)11(13-7-8-14-11)6-5-10(3,4)12/h9,12H,7-8H2,1-4H3 |
| InChIKey |
QKAOPPZJPLUTRO-UHFFFAOYSA-N |
| Molecular Weight |
198.262 g/mol |
| SMILES |
C(C1(OCCO1)C(C)C)#CC(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961768 |
