| SpectraBase Compound ID | 7HPZhMPXGfB |
|---|---|
| InChI | InChI=1S/C28H55NO3/c1-4-7-10-13-16-21-26-32-28(31)23-18-17-22-27(30)29(24-19-14-11-8-5-2)25-20-15-12-9-6-3/h4-26H2,1-3H3 |
| InChIKey | VVFANMJUVXWPNZ-UHFFFAOYSA-N |
| Mol Weight | 453.8 g/mol |
| Molecular Formula | C28H55NO3 |
| Exact Mass | 453.418195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BsodJicEOCf |
|---|---|
| Name | Adipic acid, monoamide, N,N-diheptyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 453.418194632 u |
| Formula | C28H55NO3 |
| InChI | InChI=1S/C28H55NO3/c1-4-7-10-13-16-21-26-32-28(31)23-18-17-22-27(30)29(24-19-14-11-8-5-2)25-20-15-12-9-6-3/h4-26H2,1-3H3 |
| InChIKey | VVFANMJUVXWPNZ-UHFFFAOYSA-N |
| Molecular Weight | 453.752 g/mol |
| SMILES | C(CCN(C(=O)CCCCC(OCCCCCCCC)=O)CCCCCCC)CCCC |