| SpectraBase Compound ID | HVyOZielhks |
|---|---|
| InChI | InChI=1S/C8H12O2/c9-4-2-1-3-7-5-8(7)6-10/h7-10H,2,4-6H2/t7-,8-/m0/s1 |
| InChIKey | BEGHCJQFNHKYPF-YUMQZZPRSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7NZ7YCf5iVE |
|---|---|
| Name | 4-((1S*,2R*)-2-Hydroxymethylcyclopropyl)but-3-yn-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c9-4-2-1-3-7-5-8(7)6-10/h7-10H,2,4-6H2/t7-,8-/m0/s1 |
| InChIKey | BEGHCJQFNHKYPF-YUMQZZPRSA-N |
| SMILES | [C@@]1(C[C@@]1([H])CO)([H])C#CCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964435 |