| SpectraBase Compound ID | LMDg2pStJGn |
|---|---|
| InChI | InChI=1S/C22H45NO2/c1-5-8-10-12-13-14-15-17-20-25-22(24)23(21(4)18-7-3)19-16-11-9-6-2/h21H,5-20H2,1-4H3 |
| InChIKey | QEHKALNXURQTHI-UHFFFAOYSA-N |
| Mol Weight | 355.6 g/mol |
| Molecular Formula | C22H45NO2 |
| Exact Mass | 355.34503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRZFBKBn9k3 |
|---|---|
| Name | Carbonic acid, monoamide, N-(2-pentyl)-N-hexyl-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.345029691 u |
| Formula | C22H45NO2 |
| InChI | InChI=1S/C22H45NO2/c1-5-8-10-12-13-14-15-17-20-25-22(24)23(21(4)18-7-3)19-16-11-9-6-2/h21H,5-20H2,1-4H3 |
| InChIKey | QEHKALNXURQTHI-UHFFFAOYSA-N |
| Molecular Weight | 355.607 g/mol |
| SMILES | CCCC(C)N(C(OCCCCCCCCCC)=O)CCCCCC |