| SpectraBase Compound ID | Ald0vQpVqJt |
|---|---|
| InChI | InChI=1S/C9H9NO2/c1-6-9(11)10-7-4-2-3-5-8(7)12-6/h2-6H,1H3,(H,10,11) |
| InChIKey | PILVMCZSXIINLV-UHFFFAOYSA-N |
| Mol Weight | 163.18 g/mol |
| Molecular Formula | C9H9NO2 |
| Exact Mass | 163.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LpXMfdf2dv |
|---|---|
| Name | 2-Methyl-3,4-dihydrobenzoxazin-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.063328532 u |
| Formula | C9H9NO2 |
| InChI | InChI=1S/C9H9NO2/c1-6-9(11)10-7-4-2-3-5-8(7)12-6/h2-6H,1H3,(H,10,11) |
| InChIKey | PILVMCZSXIINLV-UHFFFAOYSA-N |
| SMILES | N1C(C(Oc2ccccc12)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979294 |