| SpectraBase Compound ID | 9mNjDC0MmFy |
|---|---|
| InChI | InChI=1S/C11H12BrNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2 |
| InChIKey | ZFWDUMGAQDJYAE-UHFFFAOYSA-N |
| Mol Weight | 254.13 g/mol |
| Molecular Formula | C11H12BrNO |
| Exact Mass | 253.010227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8NomrK3KhUs |
|---|---|
| Name | 1-(3-Bromobenzoyl)pyrrolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.010227009 u |
| Formula | C11H12BrNO |
| InChI | InChI=1S/C11H12BrNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2 |
| InChIKey | ZFWDUMGAQDJYAE-UHFFFAOYSA-N |
| Molecular Weight | 254.127 g/mol |
| SMILES | C(N1CCCC1)(C1=CC(Br)=CC=C1)=O |