| SpectraBase Compound ID | GM5q2FUM8x5 |
|---|---|
| InChI | InChI=1S/C12H12ClNO3/c1-14(2)11(15)6-7-12(16)17-10-5-3-4-9(13)8-10/h3-8H,1-2H3/b7-6+ |
| InChIKey | DCBNHWNJXQUEEA-VOTSOKGWSA-N |
| Mol Weight | 253.68 g/mol |
| Molecular Formula | C12H12ClNO3 |
| Exact Mass | 253.050571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BiHmFeWCu2M |
|---|---|
| Name | Fumaric acid, monoamide, N,N-dimethyl-, 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.050570947 u |
| Formula | C12H12ClNO3 |
| InChI | InChI=1S/C12H12ClNO3/c1-14(2)11(15)6-7-12(16)17-10-5-3-4-9(13)8-10/h3-8H,1-2H3/b7-6+ |
| InChIKey | DCBNHWNJXQUEEA-VOTSOKGWSA-N |
| Molecular Weight | 253.685 g/mol |
| SMILES | C1=C(C=C(C=C1)Cl)OC(=O)\C=C\C(N(C)C)=O |