| SpectraBase Compound ID | HnDmbSfo8QR |
|---|---|
| InChI | InChI=1S/C22H28BrNO/c1-2-3-4-5-9-17-24(18-16-19-10-7-6-8-11-19)22(25)20-12-14-21(23)15-13-20/h6-8,10-15H,2-5,9,16-18H2,1H3 |
| InChIKey | GGUKNLFITKEBLB-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 | 9xVWAiVEFWK |
|---|---|
| Name | Benzamide, 4-bromo-N-(2-phenylethyl)-N-heptyl- |
| 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/c1-2-3-4-5-9-17-24(18-16-19-10-7-6-8-11-19)22(25)20-12-14-21(23)15-13-20/h6-8,10-15H,2-5,9,16-18H2,1H3 |
| InChIKey | GGUKNLFITKEBLB-UHFFFAOYSA-N |
| Molecular Weight | 402.376 g/mol |
| SMILES | C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(=CC1)Br)CCCCCCC |