| SpectraBase Compound ID | AY7TA8Z5feF |
|---|---|
| InChI | InChI=1S/C15H22BrNO/c1-3-5-6-11-17(10-4-2)15(18)13-8-7-9-14(16)12-13/h7-9,12H,3-6,10-11H2,1-2H3 |
| InChIKey | RXQAOSMWQNDVIG-UHFFFAOYSA-N |
| Mol Weight | 312.25 g/mol |
| Molecular Formula | C15H22BrNO |
| Exact Mass | 311.088477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4WqHd0yZB7J |
|---|---|
| Name | Benzamide, 3-bromo-N-propyl-N-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.088477331 u |
| Formula | C15H22BrNO |
| InChI | InChI=1S/C15H22BrNO/c1-3-5-6-11-17(10-4-2)15(18)13-8-7-9-14(16)12-13/h7-9,12H,3-6,10-11H2,1-2H3 |
| InChIKey | RXQAOSMWQNDVIG-UHFFFAOYSA-N |
| Molecular Weight | 312.251 g/mol |
| SMILES | C1=C(C=C(C=C1)C(N(CCCCC)CCC)=O)Br |