| SpectraBase Compound ID | 57XPNt2fb55 |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-6(2)8-4-7(3)11-9(10)5-8/h4-6H,1-3H3 |
| InChIKey | BNUTWEHRVAJMKB-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | eYffukdFsp |
|---|---|
| Name | 4-Isopropyl-6-methyl-2H-pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c1-6(2)8-4-7(3)11-9(10)5-8/h4-6H,1-3H3 |
| InChIKey | BNUTWEHRVAJMKB-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C1=C(C)OC(C=C1C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965492 |