![1-[(2E)-3-(3,4-dichlorophenyl)-2-propenoyl]indoline](/api/spectrum/CU62atu0hGC/structure.png?h=300&w=458 "1-[(2E)-3-(3,4-dichlorophenyl)-2-propenoyl]indoline")
| SpectraBase Compound ID | Jk96J5Dvb2R |
|---|---|
| InChI | InChI=1S/C17H13Cl2NO/c18-14-7-5-12(11-15(14)19)6-8-17(21)20-10-9-13-3-1-2-4-16(13)20/h1-8,11H,9-10H2/b8-6+ |
| InChIKey | XERVQFCOUVJNKK-SOFGYWHQSA-N |
| Mol Weight | 318.2 g/mol |
| Molecular Formula | C17H13Cl2NO |
| Exact Mass | 317.037419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CU62atu0hGC |
|---|---|
| Name | 1-[(2E)-3-(3,4-Dichlorophenyl)-2-propenoyl]indoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.037419442 u |
| Formula | C17H13Cl2NO |
| InChI | InChI=1S/C17H13Cl2NO/c18-14-7-5-12(11-15(14)19)6-8-17(21)20-10-9-13-3-1-2-4-16(13)20/h1-8,11H,9-10H2/b8-6+ |
| InChIKey | XERVQFCOUVJNKK-SOFGYWHQSA-N |
| Molecular Weight | 318.203 g/mol |
| SMILES | C1=CC=C2N(C(\C=C\C=3C=C(Cl)C(=CC3)Cl)=O)CCC2=C1 |