![Benzoic acid, 4-[[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino]-, ethyl ester](/api/spectrum/BofnhdKEq1Z/structure.png?h=300&w=458 "Benzoic acid, 4-[[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino]-, ethyl ester")
| SpectraBase Compound ID | 4KPMv9KIXeS |
|---|---|
| InChI | InChI=1S/C18H21NO4/c1-4-23-17(22)12-5-7-13(8-6-12)19-11-14-15(20)9-18(2,3)10-16(14)21/h5-8,11,19H,4,9-10H2,1-3H3 |
| InChIKey | RGFPWQSFMXFCGU-UHFFFAOYSA-N |
| Mol Weight | 315.37 g/mol |
| Molecular Formula | C18H21NO4 |
| Exact Mass | 315.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BofnhdKEq1Z |
|---|---|
| Name | Benzoic acid, 4-[[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino]-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.147058156 u |
| Formula | C18H21NO4 |
| InChI | InChI=1S/C18H21NO4/c1-4-23-17(22)12-5-7-13(8-6-12)19-11-14-15(20)9-18(2,3)10-16(14)21/h5-8,11,19H,4,9-10H2,1-3H3 |
| InChIKey | RGFPWQSFMXFCGU-UHFFFAOYSA-N |
| SMILES | N(C=C1C(CC(CC1=O)(C)C)=O)C=1C=CC(C(=O)OCC)=CC1 |