| SpectraBase Compound ID | 2PkcGQWZY2V |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-2-3-4-5-6-10(12)9-11(13)7-8-11/h13H,2-9H2,1H3 |
| InChIKey | ASIHMWXMNDANGN-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1zMZxAkpgto |
|---|---|
| Name | 1-(1-Hydroxycyclopropyl)-2-octanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-2-3-4-5-6-10(12)9-11(13)7-8-11/h13H,2-9H2,1H3 |
| InChIKey | ASIHMWXMNDANGN-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C1(CC1)(CC(CCCCCC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860095 |