| SpectraBase Compound ID | 1aat7V04BW6 |
|---|---|
| InChI | InChI=1S/C20H33NO/c1-5-7-9-13-18(4)21(20(22)17(3)12-6-2)16-19-14-10-8-11-15-19/h8,10-11,14-15,17-18H,5-7,9,12-13,16H2,1-4H3 |
| InChIKey | DMQIHQUICFBSQU-UHFFFAOYSA-N |
| Mol Weight | 303.5 g/mol |
| Molecular Formula | C20H33NO |
| Exact Mass | 303.256215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8Ir3nqXjkm |
|---|---|
| Name | Valeramide, 2-methyl-N-benzyl-N-(hept-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.256214686 u |
| Formula | C20H33NO |
| InChI | InChI=1S/C20H33NO/c1-5-7-9-13-18(4)21(20(22)17(3)12-6-2)16-19-14-10-8-11-15-19/h8,10-11,14-15,17-18H,5-7,9,12-13,16H2,1-4H3 |
| InChIKey | DMQIHQUICFBSQU-UHFFFAOYSA-N |
| SMILES | C(=O)(N(C(CCCCC)C)CC1=CC=CC=C1)C(C)CCC |