| SpectraBase Compound ID | 8o53zOKnNgm |
|---|---|
| InChI | InChI=1S/C12H11ClN2O2/c13-9-3-4-11-10(7-9)15(6-2-1-5-14)12(16)8-17-11/h3-4,7H,1-2,6,8H2 |
| InChIKey | UVJOBGGTCQVNCH-UHFFFAOYSA-N |
| Mol Weight | 250.68 g/mol |
| Molecular Formula | C12H11ClN2O2 |
| Exact Mass | 250.050905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uiYCzeQPUj |
|---|---|
| Name | 2H-1,4-Benzoxazine-4-butanenitrile, 6-chloro-3,4-dihydro-3-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.050905300 u |
| Formula | C12H11ClN2O2 |
| InChI | InChI=1S/C12H11ClN2O2/c13-9-3-4-11-10(7-9)15(6-2-1-5-14)12(16)8-17-11/h3-4,7H,1-2,6,8H2 |
| InChIKey | UVJOBGGTCQVNCH-UHFFFAOYSA-N |
| Molecular Weight | 250.685 g/mol |
| SMILES | C(CC#N)CN1C2=C(C=CC(=C2)Cl)OCC1=O |