| SpectraBase Compound ID | 95dfiIztfu6 |
|---|---|
| InChI | InChI=1S/C27H53NO3/c1-4-7-10-13-14-15-20-25-31-27(30)22-17-16-21-26(29)28(23-18-11-8-5-2)24-19-12-9-6-3/h4-25H2,1-3H3 |
| InChIKey | WAMOQXUDMKOZLB-UHFFFAOYSA-N |
| Mol Weight | 439.7 g/mol |
| Molecular Formula | C27H53NO3 |
| Exact Mass | 439.402545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aMXgHRx6Eb |
|---|---|
| Name | Adipic acid, monoamide, N,N-dihexyl-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 439.402544568 u |
| Formula | C27H53NO3 |
| InChI | InChI=1S/C27H53NO3/c1-4-7-10-13-14-15-20-25-31-27(30)22-17-16-21-26(29)28(23-18-11-8-5-2)24-19-12-9-6-3/h4-25H2,1-3H3 |
| InChIKey | WAMOQXUDMKOZLB-UHFFFAOYSA-N |
| Molecular Weight | 439.725 g/mol |
| SMILES | CCCCCCCCCOC(CCCCC(=O)N(CCCCCC)CCCCCC)=O |