| SpectraBase Compound ID | 3r0z6jwixNk |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-6-5-7(10(2,3)4)9(12)8(6)11/h7,11H,5H2,1-4H3 |
| InChIKey | TZNRTYOELHYQQE-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 | IfC2JlqpAHF |
|---|---|
| Name | 5-Tert-butyl-2-hydroxy-3-methylcyclopent-2-en-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/c1-6-5-7(10(2,3)4)9(12)8(6)11/h7,11H,5H2,1-4H3 |
| InChIKey | TZNRTYOELHYQQE-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1(C(=C(CC1C(C)(C)C)C)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91952 |