| SpectraBase Compound ID | 7wCGJnHBk3P |
|---|---|
| InChI | InChI=1S/C16H31NO/c1-5-7-9-10-12-14-16(18)17(4)15(3)13-11-8-6-2/h10,12,15H,5-9,11,13-14H2,1-4H3/b12-10+ |
| InChIKey | BNETXQJDOGFAKJ-ZRDIBKRKSA-N |
| Mol Weight | 253.43 g/mol |
| Molecular Formula | C16H31NO |
| Exact Mass | 253.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8OiGsU7ix7i |
|---|---|
| Name | oct-3-Enoylamide, N-methyl-N-(hept-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.240564621 u |
| Formula | C16H31NO |
| InChI | InChI=1S/C16H31NO/c1-5-7-9-10-12-14-16(18)17(4)15(3)13-11-8-6-2/h10,12,15H,5-9,11,13-14H2,1-4H3/b12-10+ |
| InChIKey | BNETXQJDOGFAKJ-ZRDIBKRKSA-N |
| Molecular Weight | 253.430 g/mol |
| SMILES | C(C\C=C\CCCC)(=O)N(C)C(CCCCC)C |