| SpectraBase Compound ID | 41KRKznsuLt |
|---|---|
| InChI | InChI=1S/C22H28BrNO/c1-2-3-4-5-6-10-16-24(18-19-12-8-7-9-13-19)22(25)20-14-11-15-21(23)17-20/h7-9,11-15,17H,2-6,10,16,18H2,1H3 |
| InChIKey | GTMLFRFVLFZWKU-UHFFFAOYSA-N |
| Mol Weight | 402.38 g/mol |
| Molecular Formula | C22H28BrNO |
| Exact Mass | 401.135428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqZn9Z5Uyjw |
|---|---|
| Name | Benzamide, 3-bromo-N-benzyl-N-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.135427525 u |
| Formula | C22H28BrNO |
| InChI | InChI=1S/C22H28BrNO/c1-2-3-4-5-6-10-16-24(18-19-12-8-7-9-13-19)22(25)20-14-11-15-21(23)17-20/h7-9,11-15,17H,2-6,10,16,18H2,1H3 |
| InChIKey | GTMLFRFVLFZWKU-UHFFFAOYSA-N |
| Molecular Weight | 402.376 g/mol |
| SMILES | C(N(CCCCCCCC)CC1=CC=CC=C1)(=O)C=1C=C(C=CC1)Br |