| SpectraBase Compound ID | CBtTjPBWTyE |
|---|---|
| InChI | InChI=1S/C25H42BrNO/c1-3-5-7-9-11-13-15-20-27(21-16-14-12-10-8-6-4-2)25(28)23-18-17-19-24(26)22-23/h17-19,22H,3-16,20-21H2,1-2H3 |
| InChIKey | KAECCGZDTOEZTB-UHFFFAOYSA-N |
| Mol Weight | 452.5 g/mol |
| Molecular Formula | C25H42BrNO |
| Exact Mass | 451.244978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8P4MlBXn0UV |
|---|---|
| Name | Benzamide, N,N-dinonyl-3-bromo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 451.244977975 u |
| Formula | C25H42BrNO |
| InChI | InChI=1S/C25H42BrNO/c1-3-5-7-9-11-13-15-20-27(21-16-14-12-10-8-6-4-2)25(28)23-18-17-19-24(26)22-23/h17-19,22H,3-16,20-21H2,1-2H3 |
| InChIKey | KAECCGZDTOEZTB-UHFFFAOYSA-N |
| Molecular Weight | 452.521 g/mol |
| SMILES | C1(=CC=CC(=C1)C(N(CCCCCCCCC)CCCCCCCCC)=O)Br |