| SpectraBase Compound ID | 6W61cQ8NIeN |
|---|---|
| InChI | InChI=1S/C27H47NO/c1-4-7-10-12-14-16-23-28(24-17-15-13-11-8-5-2)27(29)26-21-19-25(20-22-26)18-9-6-3/h19-22H,4-18,23-24H2,1-3H3 |
| InChIKey | AQCTTZXJOUPBOP-UHFFFAOYSA-N |
| Mol Weight | 401.7 g/mol |
| Molecular Formula | C27H47NO |
| Exact Mass | 401.365765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2RXQvXXC4Uv |
|---|---|
| Name | Benzamide, N,N-dioctyl-4-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.365765136 u |
| Formula | C27H47NO |
| InChI | InChI=1S/C27H47NO/c1-4-7-10-12-14-16-23-28(24-17-15-13-11-8-5-2)27(29)26-21-19-25(20-22-26)18-9-6-3/h19-22H,4-18,23-24H2,1-3H3 |
| InChIKey | AQCTTZXJOUPBOP-UHFFFAOYSA-N |
| Molecular Weight | 401.679 g/mol |
| SMILES | CCCCC1=CC=C(C=C1)C(N(CCCCCCCC)CCCCCCCC)=O |