| SpectraBase Compound ID | 4EdS7t6u0C2 |
|---|---|
| InChI | InChI=1S/C19H29NO3/c1-16(2)10-9-15-23-19(22)14-8-7-13-18(21)20(3)17-11-5-4-6-12-17/h4-6,11-12,16H,7-10,13-15H2,1-3H3 |
| InChIKey | BZXGKPYLBSDUPA-UHFFFAOYSA-N |
| Mol Weight | 319.45 g/mol |
| Molecular Formula | C19H29NO3 |
| Exact Mass | 319.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ch7Z7mR8QEc |
|---|---|
| Name | Adipic acid, monoanide, N-methyl-N-phenyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.214743795 u |
| Formula | C19H29NO3 |
| InChI | InChI=1S/C19H29NO3/c1-16(2)10-9-15-23-19(22)14-8-7-13-18(21)20(3)17-11-5-4-6-12-17/h4-6,11-12,16H,7-10,13-15H2,1-3H3 |
| InChIKey | BZXGKPYLBSDUPA-UHFFFAOYSA-N |
| Molecular Weight | 319.445 g/mol |
| SMILES | C(CCCCC(=O)N(C1=CC=CC=C1)C)(OCCCC(C)C)=O |