| SpectraBase Compound ID | IVVCWFNBnod |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-10-5-6-12(9-11(10)2)18-14(17)8-7-13(16)15(3)4/h5-9H,1-4H3/b8-7+ |
| InChIKey | HWVRSALFSZGLDI-BQYQJAHWSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QjylRP61WQ |
|---|---|
| Name | Fumaric acid, monoamide, N,N-dimethyl-, 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-10-5-6-12(9-11(10)2)18-14(17)8-7-13(16)15(3)4/h5-9H,1-4H3/b8-7+ |
| InChIKey | HWVRSALFSZGLDI-BQYQJAHWSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C1=C(C=C(C(=C1)C)C)OC(=O)\C=C\C(N(C)C)=O |