| SpectraBase Compound ID | 1fYtDZngfXd |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-5-7(3)12-9(11-4)6(2)8(5)10/h1-4H3 |
| InChIKey | QPYLDNSXXUKCRZ-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 88YvfOKvN6U |
|---|---|
| Name | 2-Methoxy-3,5,6-trimethyl-4-pyranone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-5-7(3)12-9(11-4)6(2)8(5)10/h1-4H3 |
| InChIKey | QPYLDNSXXUKCRZ-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C1(=C(C(C(=C(O1)C)C)=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816321 |