| SpectraBase Compound ID | 1BQSTwQn8Un |
|---|---|
| InChI | InChI=1S/C14H27NO/c1-5-7-8-9-11-15(10-6-2)14(16)12-13(3)4/h12H,5-11H2,1-4H3 |
| InChIKey | QXGGIEYEKPYWCU-UHFFFAOYSA-N |
| Mol Weight | 225.38 g/mol |
| Molecular Formula | C14H27NO |
| Exact Mass | 225.209264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XhOGzE8SVm |
|---|---|
| Name | but-2-Enoylamide, 3-methyl-N-propyl-N-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.209264492 u |
| Formula | C14H27NO |
| InChI | InChI=1S/C14H27NO/c1-5-7-8-9-11-15(10-6-2)14(16)12-13(3)4/h12H,5-11H2,1-4H3 |
| InChIKey | QXGGIEYEKPYWCU-UHFFFAOYSA-N |
| Molecular Weight | 225.376 g/mol |
| SMILES | C(=O)(N(CCC)CCCCCC)C=C(C)C |