| SpectraBase Compound ID | GcBMPte7QJP |
|---|---|
| InChI | InChI=1S/C14H16ClNO3/c1-2-3-10-19-14(18)9-8-13(17)16-12-7-5-4-6-11(12)15/h4-9H,2-3,10H2,1H3,(H,16,17)/b9-8+ |
| InChIKey | GCGDOVBZKODCKR-CMDGGOBGSA-N |
| Mol Weight | 281.74 g/mol |
| Molecular Formula | C14H16ClNO3 |
| Exact Mass | 281.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfYbGq6PM0K |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-chlorophenyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.081871076 u |
| Formula | C14H16ClNO3 |
| InChI | InChI=1S/C14H16ClNO3/c1-2-3-10-19-14(18)9-8-13(17)16-12-7-5-4-6-11(12)15/h4-9H,2-3,10H2,1H3,(H,16,17)/b9-8+ |
| InChIKey | GCGDOVBZKODCKR-CMDGGOBGSA-N |
| Molecular Weight | 281.739 g/mol |
| SMILES | C(NC1=CC=CC=C1Cl)(\C=C\C(OCCCC)=O)=O |