| SpectraBase Compound ID | 2J0Q7u3Mq9b |
|---|---|
| InChI | InChI=1S/C18H29NO/c1-3-5-6-7-11-16-19(4-2)18(20)15-14-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3 |
| InChIKey | MLHKVYAOJSCULK-UHFFFAOYSA-N |
| Mol Weight | 275.44 g/mol |
| Molecular Formula | C18H29NO |
| Exact Mass | 275.224915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eMNZuen8mX |
|---|---|
| Name | Propanamide, 3-phenyl-N-ethyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.224914557 u |
| Formula | C18H29NO |
| InChI | InChI=1S/C18H29NO/c1-3-5-6-7-11-16-19(4-2)18(20)15-14-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3 |
| InChIKey | MLHKVYAOJSCULK-UHFFFAOYSA-N |
| SMILES | C(C(=O)N(CCCCCCC)CC)CC=1C=CC=CC1 |