| SpectraBase Compound ID | LiKdjpng8vT |
|---|---|
| InChI | InChI=1S/C23H45NO3/c1-4-7-9-11-15-19-24(20-16-12-10-8-5-2)22(25)17-13-14-18-23(26)27-21-6-3/h4-21H2,1-3H3 |
| InChIKey | DBVLOFVBIJFJAV-UHFFFAOYSA-N |
| Mol Weight | 383.6 g/mol |
| Molecular Formula | C23H45NO3 |
| Exact Mass | 383.339944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Annpwl6itm2 |
|---|---|
| Name | Adipic acid, monoamide, N,N-diheptyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.339944310 u |
| Formula | C23H45NO3 |
| InChI | InChI=1S/C23H45NO3/c1-4-7-9-11-15-19-24(20-16-12-10-8-5-2)22(25)17-13-14-18-23(26)27-21-6-3/h4-21H2,1-3H3 |
| InChIKey | DBVLOFVBIJFJAV-UHFFFAOYSA-N |
| Molecular Weight | 383.617 g/mol |
| SMILES | C(CCN(C(=O)CCCCC(OCCC)=O)CCCCCCC)CCCC |