| SpectraBase Compound ID | 553dapURI6K |
|---|---|
| InChI | InChI=1S/C21H35NO2/c1-5-7-8-9-10-11-16-22(18(3)6-2)21(23)17-19-12-14-20(24-4)15-13-19/h12-15,18H,5-11,16-17H2,1-4H3 |
| InChIKey | VBCPCKBATVBGJO-UHFFFAOYSA-N |
| Mol Weight | 333.5 g/mol |
| Molecular Formula | C21H35NO2 |
| Exact Mass | 333.266779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5MjoqNDU6H |
|---|---|
| Name | Acetamide, 2-(4-methoxyphenyl)-N-(2-butyl)-N-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.266779369 u |
| Formula | C21H35NO2 |
| InChI | InChI=1S/C21H35NO2/c1-5-7-8-9-10-11-16-22(18(3)6-2)21(23)17-19-12-14-20(24-4)15-13-19/h12-15,18H,5-11,16-17H2,1-4H3 |
| InChIKey | VBCPCKBATVBGJO-UHFFFAOYSA-N |
| Molecular Weight | 333.516 g/mol |
| SMILES | C(C1=CC=C(C=C1)OC)C(=O)N(CCCCCCCC)C(CC)C |