| SpectraBase Compound ID | BQi2kbTnksO |
|---|---|
| InChI | InChI=1S/C21H41NO3/c1-4-7-10-13-16-19-25-21(24)20(23)22(17-14-11-8-5-2)18-15-12-9-6-3/h4-19H2,1-3H3 |
| InChIKey | XAOUQQBGVKXNDV-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 | 4kJkA8WwTCK |
|---|---|
| Name | Oxalic acid, monoamide, N,N-dihexyl-, heptyl 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/c1-4-7-10-13-16-19-25-21(24)20(23)22(17-14-11-8-5-2)18-15-12-9-6-3/h4-19H2,1-3H3 |
| InChIKey | XAOUQQBGVKXNDV-UHFFFAOYSA-N |
| Molecular Weight | 355.563 g/mol |
| SMILES | C(C(N(CCCCCC)CCCCCC)=O)(=O)OCCCCCCC |