| SpectraBase Compound ID | DMk3cqJvCjo |
|---|---|
| InChI | InChI=1S/C16H19NO5/c1-4-21-15(19)14(16(20)22-5-2)10-12-6-8-13(9-7-12)17-11(3)18/h6-10H,4-5H2,1-3H3,(H,17,18) |
| InChIKey | ZGKQMVWKFLYHAL-UHFFFAOYSA-N |
| Mol Weight | 305.33 g/mol |
| Molecular Formula | C16H19NO5 |
| Exact Mass | 305.126323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20TYBpsyEFD |
|---|---|
| Name | (p-Acetamidobenzylidene)malonic acid, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.126322711 u |
| Formula | C16H19NO5 |
| InChI | InChI=1S/C16H19NO5/c1-4-21-15(19)14(16(20)22-5-2)10-12-6-8-13(9-7-12)17-11(3)18/h6-10H,4-5H2,1-3H3,(H,17,18) |
| InChIKey | ZGKQMVWKFLYHAL-UHFFFAOYSA-N |
| SMILES | N(C=1C=CC(=CC1)C=C(C(OCC)=O)C(OCC)=O)C(C)=O |