| SpectraBase Spectrum ID |
KOBFpHTbM5j |
| Name |
2-Butyn-1-ol, 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.094294308 u |
| Formula |
C9H14O3 |
| InChI |
InChI=1S/C9H14O3/c1-9(2)11-7-8(12-9)5-3-4-6-10/h8,10H,5-7H2,1-2H3/t8-/m0/s1 |
| InChIKey |
OGPSNFWZIAQAMC-QMMMGPOBSA-N |
| Molecular Weight |
170.208 g/mol |
| SMILES |
C1(O[C@@](CC#CCO)(CO1)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985709 |
