| SpectraBase Compound ID | 8uh7QgoA2Kh |
|---|---|
| InChI | InChI=1S/C11H12BrNO2/c1-11(2)10(14)13(3)8-6-7(12)4-5-9(8)15-11/h4-6H,1-3H3 |
| InChIKey | MXWPSFWXMJWYFP-UHFFFAOYSA-N |
| Mol Weight | 270.13 g/mol |
| Molecular Formula | C11H12BrNO2 |
| Exact Mass | 269.005142 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4sWvlAKsRKf |
|---|---|
| Name | 6-Bromo-2,2,4-trimethyl-1,4-benzoxazin-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.005141628 u |
| Formula | C11H12BrNO2 |
| InChI | InChI=1S/C11H12BrNO2/c1-11(2)10(14)13(3)8-6-7(12)4-5-9(8)15-11/h4-6H,1-3H3 |
| InChIKey | MXWPSFWXMJWYFP-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC2=C1N(C)C(=O)C(O2)(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871129 |