| SpectraBase Compound ID | AgrPYWNCF9o |
|---|---|
| InChI | InChI=1S/C15H22BrNO/c1-4-9-17(10-8-12(2)3)15(18)13-6-5-7-14(16)11-13/h5-7,11-12H,4,8-10H2,1-3H3 |
| InChIKey | OCLDDEYUHLFGFY-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 | 4yrAJOSCKlB |
|---|---|
| Name | Benzamide, 3-bromo-N-propyl-N-(3-methylbutyl)- |
| 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/c1-4-9-17(10-8-12(2)3)15(18)13-6-5-7-14(16)11-13/h5-7,11-12H,4,8-10H2,1-3H3 |
| InChIKey | OCLDDEYUHLFGFY-UHFFFAOYSA-N |
| Molecular Weight | 312.251 g/mol |
| SMILES | C1=C(C=C(C=C1)C(N(CCC(C)C)CCC)=O)Br |