![ethyl (2E)-3-[(4-chlorobenzoyl)amino]-2-butenoate](/api/spectrum/HBERG4PmYGI/structure.png?h=300&w=458 "ethyl (2E)-3-[(4-chlorobenzoyl)amino]-2-butenoate")
| SpectraBase Compound ID | H6IRFfYivj3 |
|---|---|
| InChI | InChI=1S/C13H14ClNO3/c1-3-18-12(16)8-9(2)15-13(17)10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3,(H,15,17)/b9-8+ |
| InChIKey | LOGJYJNZFCVTGC-CMDGGOBGSA-N |
| Mol Weight | 267.71 g/mol |
| Molecular Formula | C13H14ClNO3 |
| Exact Mass | 267.066221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBERG4PmYGI |
|---|---|
| Name | 2-Butenoic acid, 3-[(4-chlorobenzoyl)amino]-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.066221012 u |
| Formula | C13H14ClNO3 |
| InChI | InChI=1S/C13H14ClNO3/c1-3-18-12(16)8-9(2)15-13(17)10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3,(H,15,17)/b9-8+ |
| InChIKey | LOGJYJNZFCVTGC-CMDGGOBGSA-N |
| SMILES | C(N\C(=C\C(=O)OCC)C)(C1=CC=C(C=C1)Cl)=O |