| SpectraBase Compound ID | 9EJM09Pm550 |
|---|---|
| InChI | InChI=1S/C6H12O/c1-2-3-6(7)4-5-6/h7H,2-5H2,1H3 |
| InChIKey | PEECWTGZUDNPNQ-UHFFFAOYSA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KUcUXBWDdVi |
|---|---|
| Name | 1-Propylcyclopropanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.088815005 u |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-2-3-6(7)4-5-6/h7H,2-5H2,1H3 |
| InChIKey | PEECWTGZUDNPNQ-UHFFFAOYSA-N |
| Molecular Weight | 100.161 g/mol |
| SMILES | C1(CC1)(O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925763 |