| SpectraBase Compound ID | fGAvGzeuJK |
|---|---|
| InChI | InChI=1S/C14H12N2O3/c17-16(18)12-6-3-5-10(8-12)14-15-13-7-2-1-4-11(13)9-19-14/h1-8,14-15H,9H2 |
| InChIKey | BMTYRHXRPZSTJQ-UHFFFAOYSA-N |
| Mol Weight | 256.26 g/mol |
| Molecular Formula | C14H12N2O3 |
| Exact Mass | 256.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27xAPiysHtY |
|---|---|
| Name | 2-(3-Nitrophenyl)-1,4-dihydro-2H-3,1-benzoxazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.084792251 u |
| Formula | C14H12N2O3 |
| InChI | InChI=1S/C14H12N2O3/c17-16(18)12-6-3-5-10(8-12)14-15-13-7-2-1-4-11(13)9-19-14/h1-8,14-15H,9H2 |
| InChIKey | BMTYRHXRPZSTJQ-UHFFFAOYSA-N |
| Molecular Weight | 256.261 g/mol |
| SMILES | C1(N(=O)=O)=CC(C2NC3=CC=CC=C3CO2)=CC=C1 |