![1-Amino-2-[(2-bis-ethoxycarbonylvinyl)amino]-4-chlorobenzene](/api/spectrum/DO4IIFDeKyH/structure.png?h=300&w=458 "1-Amino-2-[(2-bis-ethoxycarbonylvinyl)amino]-4-chlorobenzene")
| SpectraBase Compound ID | 2r59Vr9RWet |
|---|---|
| InChI | InChI=1S/C14H17ClN2O4/c1-3-20-13(18)10(14(19)21-4-2)8-17-12-7-9(15)5-6-11(12)16/h5-8,17H,3-4,16H2,1-2H3 |
| InChIKey | ZCCLBEYLOGUBHI-UHFFFAOYSA-N |
| Mol Weight | 312.75 g/mol |
| Molecular Formula | C14H17ClN2O4 |
| Exact Mass | 312.087685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DO4IIFDeKyH |
|---|---|
| Name | 1-Amino-2-[(2-bis-ethoxycarbonylvinyl)amino]-4-chlorobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.087684731 u |
| Formula | C14H17ClN2O4 |
| InChI | InChI=1S/C14H17ClN2O4/c1-3-20-13(18)10(14(19)21-4-2)8-17-12-7-9(15)5-6-11(12)16/h5-8,17H,3-4,16H2,1-2H3 |
| InChIKey | ZCCLBEYLOGUBHI-UHFFFAOYSA-N |
| Molecular Weight | 312.753 g/mol |
| SMILES | C1=C(C(=CC(=C1)Cl)NC=C(C(OCC)=O)C(OCC)=O)N |