| SpectraBase Compound ID | 5Jli7yw8a1i |
|---|---|
| InChI | InChI=1S/C15H19NO6/c1-4-21-14(18)12(15(19)22-5-2)16-13(17)10-6-8-11(20-3)9-7-10/h6-9,12H,4-5H2,1-3H3,(H,16,17) |
| InChIKey | XDBUQKNZNHQKFA-UHFFFAOYSA-N |
| Mol Weight | 309.32 g/mol |
| Molecular Formula | C15H19NO6 |
| Exact Mass | 309.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4JnQUhi1DP |
|---|---|
| Name | 2-(p-Anisoylamino)malonic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.121237330 u |
| Formula | C15H19NO6 |
| InChI | InChI=1S/C15H19NO6/c1-4-21-14(18)12(15(19)22-5-2)16-13(17)10-6-8-11(20-3)9-7-10/h6-9,12H,4-5H2,1-3H3,(H,16,17) |
| InChIKey | XDBUQKNZNHQKFA-UHFFFAOYSA-N |
| Molecular Weight | 309.318 g/mol |
| SMILES | C(C(C(=O)OCC)NC(C=1C=CC(=CC1)OC)=O)(=O)OCC |