| SpectraBase Compound ID | 18ADHFZtweW |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-8-6-9(10(12)7-8)4-2-3-5-11/h7,9,11H,2-6H2,1H3 |
| InChIKey | JEECMWBWIDITBH-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3KEhyyDLUci |
|---|---|
| Name | 5-(4-Hydroxybutyl)-3-methyl-2-cyclopenten-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-8-6-9(10(12)7-8)4-2-3-5-11/h7,9,11H,2-6H2,1H3 |
| InChIKey | JEECMWBWIDITBH-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1(C=C(C)CC1CCCCO)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.800045 |