| SpectraBase Compound ID | H2cGsxo5XVv |
|---|---|
| InChI | InChI=1S/C20H31NO3/c1-3-5-6-12-17-24-20(23)16-11-10-15-19(22)21(4-2)18-13-8-7-9-14-18/h7-9,13-14H,3-6,10-12,15-17H2,1-2H3 |
| InChIKey | LESPQKFSYGUHLZ-UHFFFAOYSA-N |
| Mol Weight | 333.47 g/mol |
| Molecular Formula | C20H31NO3 |
| Exact Mass | 333.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRtl1NDPGwn |
|---|---|
| Name | Adipic acid, monoamide, N-ethyl-N-phenyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.230393859 u |
| Formula | C20H31NO3 |
| InChI | InChI=1S/C20H31NO3/c1-3-5-6-12-17-24-20(23)16-11-10-15-19(22)21(4-2)18-13-8-7-9-14-18/h7-9,13-14H,3-6,10-12,15-17H2,1-2H3 |
| InChIKey | LESPQKFSYGUHLZ-UHFFFAOYSA-N |
| Molecular Weight | 333.472 g/mol |
| SMILES | C(CC(=O)N(CC)C1=CC=CC=C1)CCC(OCCCCCC)=O |