| SpectraBase Compound ID | 3SJcdwFIJxm |
|---|---|
| InChI | InChI=1S/C17H27NO/c1-3-5-12-17(19)18(14-6-4-2)15-13-16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3 |
| InChIKey | GMFRQGLTXBMWMJ-UHFFFAOYSA-N |
| Mol Weight | 261.41 g/mol |
| Molecular Formula | C17H27NO |
| Exact Mass | 261.209264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RMKWK5QMBU |
|---|---|
| Name | Valeramide, N-(2-phenylethyl)-N-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.209264492 u |
| Formula | C17H27NO |
| InChI | InChI=1S/C17H27NO/c1-3-5-12-17(19)18(14-6-4-2)15-13-16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3 |
| InChIKey | GMFRQGLTXBMWMJ-UHFFFAOYSA-N |
| Molecular Weight | 261.409 g/mol |
| SMILES | C1=C(C=CC=C1)CCN(C(=O)CCCC)CCCC |