| SpectraBase Compound ID | 1n38kdvYhbD |
|---|---|
| InChI | InChI=1S/C16H33NO/c1-5-9-12-14(8-4)13-17-16(18)15(10-6-2)11-7-3/h14-15H,5-13H2,1-4H3,(H,17,18) |
| InChIKey | ZMDALPNBTYWSNK-UHFFFAOYSA-N |
| Mol Weight | 255.4 g/mol |
| Molecular Formula | C16H33NO |
| Exact Mass | 255.256215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRrInOyW2WV |
|---|---|
| Name | Valeramide, 2-propyl-N-(2-ethylhexyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.256214686 u |
| Formula | C16H33NO |
| InChI | InChI=1S/C16H33NO/c1-5-9-12-14(8-4)13-17-16(18)15(10-6-2)11-7-3/h14-15H,5-13H2,1-4H3,(H,17,18) |
| InChIKey | ZMDALPNBTYWSNK-UHFFFAOYSA-N |
| Molecular Weight | 255.446 g/mol |
| SMILES | CCCC(C(NCC(CCCC)CC)=O)CCC |