| SpectraBase Compound ID | HWTudw9rg8s |
|---|---|
| InChI | InChI=1S/C15H13BrClNO/c1-10-2-4-13(7-14(10)17)18-8-11-6-12(16)3-5-15(11)19-9-18/h2-7H,8-9H2,1H3 |
| InChIKey | OWKXKCGVIHKUQB-UHFFFAOYSA-N |
| Mol Weight | 338.63 g/mol |
| Molecular Formula | C15H13BrClNO |
| Exact Mass | 336.986905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fv6CQWFL8uN |
|---|---|
| Name | 6-Bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.986904742 u |
| Formula | C15H13BrClNO |
| InChI | InChI=1S/C15H13BrClNO/c1-10-2-4-13(7-14(10)17)18-8-11-6-12(16)3-5-15(11)19-9-18/h2-7H,8-9H2,1H3 |
| InChIKey | OWKXKCGVIHKUQB-UHFFFAOYSA-N |
| Molecular Weight | 338.632 g/mol |
| SMILES | CC=1C=CC(N2CC=3C=C(Br)C=CC3OC2)=CC1Cl |