| SpectraBase Compound ID | E1v7lDpICK9 |
|---|---|
| InChI | InChI=1S/C21H41NO3/c1-4-7-9-13-17-22(18-14-10-8-5-2)20(23)15-11-12-16-21(24)25-19-6-3/h4-19H2,1-3H3 |
| InChIKey | XWCTXPSXKNIFQK-UHFFFAOYSA-N |
| Mol Weight | 355.6 g/mol |
| Molecular Formula | C21H41NO3 |
| Exact Mass | 355.308644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6nlCZOCVI2x |
|---|---|
| Name | Adipic acid, monoamide, N,N-dihexyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.308644181 u |
| Formula | C21H41NO3 |
| InChI | InChI=1S/C21H41NO3/c1-4-7-9-13-17-22(18-14-10-8-5-2)20(23)15-11-12-16-21(24)25-19-6-3/h4-19H2,1-3H3 |
| InChIKey | XWCTXPSXKNIFQK-UHFFFAOYSA-N |
| Molecular Weight | 355.563 g/mol |
| SMILES | C(=O)(CCCCC(OCCC)=O)N(CCCCCC)CCCCCC |