![2-Methyl-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]pentanamide](/api/spectrum/FL9dRs7B52i/structure.png?h=300&w=458 "2-Methyl-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]pentanamide")
| SpectraBase Compound ID | L0sbYmPxTDX |
|---|---|
| InChI | InChI=1S/C20H30N2O2/c1-4-9-16(3)19(23)21-18-12-7-8-13-22(20(18)24)14-17-11-6-5-10-15(17)2/h5-6,10-11,16,18H,4,7-9,12-14H2,1-3H3,(H,21,23) |
| InChIKey | VMCMQGMWWUPTRM-UHFFFAOYSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C20H30N2O2 |
| Exact Mass | 330.230728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FL9dRs7B52i |
|---|---|
| Name | 2-Methyl-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]pentanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.230728212 u |
| Formula | C20H30N2O2 |
| InChI | InChI=1S/C20H30N2O2/c1-4-9-16(3)19(23)21-18-12-7-8-13-22(20(18)24)14-17-11-6-5-10-15(17)2/h5-6,10-11,16,18H,4,7-9,12-14H2,1-3H3,(H,21,23) |
| InChIKey | VMCMQGMWWUPTRM-UHFFFAOYSA-N |
| Molecular Weight | 330.472 g/mol |
| SMILES | C(C(CCC)C)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |