![Dimethyl ester of [6-(dimethylamino)-5-hexynyl]propanedioic acid](/api/spectrum/AFIyKN7qGsQ/structure.png?h=300&w=458 "Dimethyl ester of [6-(dimethylamino)-5-hexynyl]propanedioic acid")
| SpectraBase Compound ID | 5xIHUgjeWv7 |
|---|---|
| InChI | InChI=1S/C13H21NO4/c1-14(2)10-8-6-5-7-9-11(12(15)17-3)13(16)18-4/h11H,5-7,9H2,1-4H3 |
| InChIKey | SQBRUFAGKDEDHC-UHFFFAOYSA-N |
| Mol Weight | 255.31 g/mol |
| Molecular Formula | C13H21NO4 |
| Exact Mass | 255.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFIyKN7qGsQ |
|---|---|
| Name | Dimethyl ester of [6-(dimethylamino)-5-hexynyl]propanedioic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.147058156 u |
| Formula | C13H21NO4 |
| InChI | InChI=1S/C13H21NO4/c1-14(2)10-8-6-5-7-9-11(12(15)17-3)13(16)18-4/h11H,5-7,9H2,1-4H3 |
| InChIKey | SQBRUFAGKDEDHC-UHFFFAOYSA-N |
| Molecular Weight | 255.314 g/mol |
| SMILES | C(C(=O)OC)(C(=O)OC)CCCCC#CN(C)C |