| SpectraBase Compound ID | KSHtQXcz38b |
|---|---|
| InChI | InChI=1S/C25H42BrNO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27(4-2)25(28)23-20-17-18-21-24(23)26/h17-18,20-21H,3-16,19,22H2,1-2H3 |
| InChIKey | JYQQCXBXQBQSIN-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 | CERwmPwnDUV |
|---|---|
| Name | Benzamide, 2-bromo-N-ethyl-N-hexadecyl- |
| 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27(4-2)25(28)23-20-17-18-21-24(23)26/h17-18,20-21H,3-16,19,22H2,1-2H3 |
| InChIKey | JYQQCXBXQBQSIN-UHFFFAOYSA-N |
| Molecular Weight | 452.521 g/mol |
| SMILES | C1=C(C(=CC=C1)C(N(CC)CCCCCCCCCCCCCCCC)=O)Br |