| SpectraBase Compound ID | 31200iqW2lY |
|---|---|
| InChI | InChI=1S/C18H16N2O/c1-12-6-8-13(9-7-12)18(21)16(19)10-14-11-20-17-5-3-2-4-15(14)17/h2-11,20H,19H2,1H3/b16-10- |
| InChIKey | WCDMMLHSSPTDRA-YBEGLDIGSA-N |
| Mol Weight | 276.34 g/mol |
| Molecular Formula | C18H16N2O |
| Exact Mass | 276.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYIuJXRkeX9 |
|---|---|
| Name | 1-(4-Tolyl-)-2-amino-3-(3-indolyl-)-propene-2-one-1 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.126263142 u |
| Formula | C18H16N2O |
| InChI | InChI=1S/C18H16N2O/c1-12-6-8-13(9-7-12)18(21)16(19)10-14-11-20-17-5-3-2-4-15(14)17/h2-11,20H,19H2,1H3/b16-10- |
| InChIKey | WCDMMLHSSPTDRA-YBEGLDIGSA-N |
| Molecular Weight | 276.339 g/mol |
| SMILES | C1(\C=C\(C(C2=CC=C(C=C2)C)=O)N)=CNC2=C1C=CC=C2 |