![1,1,1-Trichloro-4-[2'-(3''-indolyl)ethylamino]-3-buten-2-one](/api/spectrum/95FDqwL72cJ/structure.png?h=300&w=458 "1,1,1-Trichloro-4-[2'-(3''-indolyl)ethylamino]-3-buten-2-one")
| SpectraBase Compound ID | 61ve8P9dXpu |
|---|---|
| InChI | InChI=1S/C14H13Cl3N2O/c15-14(16,17)13(20)6-8-18-7-5-10-9-19-12-4-2-1-3-11(10)12/h1-4,6,8-9,18-19H,5,7H2/b8-6+ |
| InChIKey | GQJIQYXWUOTQRS-SOFGYWHQSA-N |
| Mol Weight | 331.63 g/mol |
| Molecular Formula | C14H13Cl3N2O |
| Exact Mass | 330.009346 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95FDqwL72cJ |
|---|---|
| Name | 1,1,1-Trichloro-4-[2'-(3''-indolyl)ethylamino]-3-buten-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.009346146 u |
| Formula | C14H13Cl3N2O |
| InChI | InChI=1S/C14H13Cl3N2O/c15-14(16,17)13(20)6-8-18-7-5-10-9-19-12-4-2-1-3-11(10)12/h1-4,6,8-9,18-19H,5,7H2/b8-6+ |
| InChIKey | GQJIQYXWUOTQRS-SOFGYWHQSA-N |
| Molecular Weight | 331.630 g/mol |
| SMILES | C(C(\C=C\NCCC1=CNC2=C1C=CC=C2)=O)(Cl)(Cl)Cl |