| SpectraBase Compound ID | Bx7FAiSCllP |
|---|---|
| InChI | InChI=1S/C18H28BrNO/c1-4-5-7-10-15(2)20(18(21)16(3)19)14-13-17-11-8-6-9-12-17/h6,8-9,11-12,15-16H,4-5,7,10,13-14H2,1-3H3 |
| InChIKey | NZAQNHFBROSUGQ-UHFFFAOYSA-N |
| Mol Weight | 354.33 g/mol |
| Molecular Formula | C18H28BrNO |
| Exact Mass | 353.135428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJcudNiq7Yq |
|---|---|
| Name | Propanamide, 2-bromo-N-(2-phenylethyl)-N-(2-heptyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.135427525 u |
| Formula | C18H28BrNO |
| InChI | InChI=1S/C18H28BrNO/c1-4-5-7-10-15(2)20(18(21)16(3)19)14-13-17-11-8-6-9-12-17/h6,8-9,11-12,15-16H,4-5,7,10,13-14H2,1-3H3 |
| InChIKey | NZAQNHFBROSUGQ-UHFFFAOYSA-N |
| Molecular Weight | 354.332 g/mol |
| SMILES | C1=CC=CC(=C1)CCN(C(=O)C(Br)C)C(CCCCC)C |