| SpectraBase Compound ID | I77cHDbrajp |
|---|---|
| InChI | InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H |
| InChIKey | HTTLBYITFHMYFK-UHFFFAOYSA-N |
| Mol Weight | 223.23 g/mol |
| Molecular Formula | C14H9NO2 |
| Exact Mass | 223.063329 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LPjxUNj8p8n |
|---|---|
| Name | 2-Phenyl-4H-3,1-benzoxazin-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.063328532 u |
| Formula | C14H9NO2 |
| InChI | InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H |
| InChIKey | HTTLBYITFHMYFK-UHFFFAOYSA-N |
| Molecular Weight | 223.231 g/mol |
| SMILES | C=12C=CC=CC1N=C(OC2=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.979209 |