| SpectraBase Compound ID | 31wRF97BShP |
|---|---|
| InChI | InChI=1S/C9H9BrN2O2/c1-6(13)14-12-9(11)7-2-4-8(10)5-3-7/h2-5H,1H3,(H2,11,12) |
| InChIKey | PXMLUDBXBQKXOU-UHFFFAOYSA-N |
| Mol Weight | 257.09 g/mol |
| Molecular Formula | C9H9BrN2O2 |
| Exact Mass | 255.984741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2VpzNksLutM |
|---|---|
| Name | Benzamide oxime, 4-bromo-, o-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.984740536 u |
| Formula | C9H9BrN2O2 |
| InChI | InChI=1S/C9H9BrN2O2/c1-6(13)14-12-9(11)7-2-4-8(10)5-3-7/h2-5H,1H3,(H2,11,12) |
| InChIKey | PXMLUDBXBQKXOU-UHFFFAOYSA-N |
| SMILES | CC(O\N=C/(C1=CC=C(C=C1)Br)N)=O |