| SpectraBase Compound ID | AiRPCnYInOG |
|---|---|
| InChI | InChI=1S/C12H23NO/c1-5-7-9-13(8-6-2)12(14)10-11(3)4/h10H,5-9H2,1-4H3 |
| InChIKey | SCGDPBNJZPCOKH-UHFFFAOYSA-N |
| Mol Weight | 197.32 g/mol |
| Molecular Formula | C12H23NO |
| Exact Mass | 197.177964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8wt8gB715SR |
|---|---|
| Name | but-2-Enoylamide, 3-methyl-N-propyl-N-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.177964364 u |
| Formula | C12H23NO |
| InChI | InChI=1S/C12H23NO/c1-5-7-9-13(8-6-2)12(14)10-11(3)4/h10H,5-9H2,1-4H3 |
| InChIKey | SCGDPBNJZPCOKH-UHFFFAOYSA-N |
| Molecular Weight | 197.322 g/mol |
| SMILES | C(=O)(N(CCC)CCCC)C=C(C)C |