| SpectraBase Spectrum ID |
AOY8fUEDn9Y |
| Name |
4-((1S*,2R*)-2-Hydroxymethylcyclopropyl)-2-methylbut-3-yn-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
154.099379689 u |
| Formula |
C9H14O2 |
| InChI |
InChI=1S/C9H14O2/c1-9(2,11)4-3-7-5-8(7)6-10/h7-8,10-11H,5-6H2,1-2H3/t7-,8-/m0/s1 |
| InChIKey |
KFTCBDAYBSAABC-YUMQZZPRSA-N |
| Molecular Weight |
154.209 g/mol |
| SMILES |
[C@@]1(C[C@@]1([H])CO)([H])C#CC(C)(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836022 |
