| SpectraBase Compound ID | dlw105VcP2 |
|---|---|
| InChI | InChI=1S/C15H30N2O.C6H8O7/c1-2-3-4-5-6-7-8-11-16-15(18)14-17-12-9-10-13-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-14H2,1H3,(H,16,18);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | BODWHMLCBXGRLQ-UHFFFAOYSA-N |
| Mol Weight | 446.54 g/mol |
| Molecular Formula | C21H38N2O8 |
| Exact Mass | 446.262816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFEAOkF3rEk |
|---|---|
| Name | N-Nonyl-1-pyrrolidineacetamide, citrate (1:1) (salt) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.262816184 u |
| Formula | C21H38N2O8 |
| InChI | InChI=1S/C15H30N2O.C6H8O7/c1-2-3-4-5-6-7-8-11-16-15(18)14-17-12-9-10-13-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-14H2,1H3,(H,16,18);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | BODWHMLCBXGRLQ-UHFFFAOYSA-N |
| Molecular Weight | 446.541 g/mol |
| SMILES | OC(CC(CC(O)=O)(C(O)=O)O)=O.N(CCCCCCCCC)C(CN1CCCC1)=O |