| SpectraBase Compound ID | B2mTc1GDDNQ |
|---|---|
| InChI | InChI=1S/C19H31NO/c1-5-6-8-11-17(4)20(19(21)14-16(2)3)15-18-12-9-7-10-13-18/h7,9-10,12-13,16-17H,5-6,8,11,14-15H2,1-4H3 |
| InChIKey | KVDTZXDHNHAPRT-UHFFFAOYSA-N |
| Mol Weight | 289.46 g/mol |
| Molecular Formula | C19H31NO |
| Exact Mass | 289.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5EoKzSFtuKz |
|---|---|
| Name | Isovaleramide, N-benzyl-N-(hept-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.240564621 u |
| Formula | C19H31NO |
| InChI | InChI=1S/C19H31NO/c1-5-6-8-11-17(4)20(19(21)14-16(2)3)15-18-12-9-7-10-13-18/h7,9-10,12-13,16-17H,5-6,8,11,14-15H2,1-4H3 |
| InChIKey | KVDTZXDHNHAPRT-UHFFFAOYSA-N |
| Molecular Weight | 289.463 g/mol |
| SMILES | C(N(C(CCCCC)C)CC1=CC=CC=C1)(=O)CC(C)C |