![(Z)-2-[N-(1-cyclohexenyl)anilino]-2-butenedioic acid dimethyl ester](/api/spectrum/1AEg9f9QjMi/structure.png?h=300&w=458 "(Z)-2-[N-(1-cyclohexenyl)anilino]-2-butenedioic acid dimethyl ester")
| SpectraBase Compound ID | 6eCNHiVKyix |
|---|---|
| InChI | InChI=1S/C18H21NO4/c1-22-17(20)13-16(18(21)23-2)19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-11,13H,4,7-8,12H2,1-2H3/b16-13- |
| InChIKey | MTLVEEXUUIANCI-SSZFMOIBSA-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 | 1AEg9f9QjMi |
|---|---|
| Name | (Z)-2-[N-(1-Cyclohexenyl)anilino]-2-butenedioic acid dimethyl 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/c1-22-17(20)13-16(18(21)23-2)19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-11,13H,4,7-8,12H2,1-2H3/b16-13- |
| InChIKey | MTLVEEXUUIANCI-SSZFMOIBSA-N |
| SMILES | C(\C=C\(N(C1=CCCCC1)C1=CC=CC=C1)C(=O)OC)(=O)OC |