| SpectraBase Compound ID | 43EraV8hiLd |
|---|---|
| InChI | InChI=1S/C17H22BrNO3/c1-19-11-6-7-12(19)9-13(8-11)22-17(21)15(10-20)14-4-2-3-5-16(14)18/h2-5,11-13,15,20H,6-10H2,1H3 |
| InChIKey | DROZGDAJHGJMDQ-UHFFFAOYSA-N |
| Mol Weight | 368.27 g/mol |
| Molecular Formula | C17H22BrNO3 |
| Exact Mass | 367.078307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6jzCuqpXciY |
|---|---|
| Name | o-Bromoatropine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.078306569 u |
| Formula | C17H22BrNO3 |
| InChI | InChI=1S/C17H22BrNO3/c1-19-11-6-7-12(19)9-13(8-11)22-17(21)15(10-20)14-4-2-3-5-16(14)18/h2-5,11-13,15,20H,6-10H2,1H3 |
| InChIKey | DROZGDAJHGJMDQ-UHFFFAOYSA-N |
| Molecular Weight | 368.271 g/mol |
| SMILES | C1C2CC(CC(C1)N2C)OC(=O)C(CO)C1=C(C=CC=C1)Br |