| SpectraBase Compound ID | HLim7VIj9T1 |
|---|---|
| InChI | InChI=1S/C22H19NO/c1-14(2)22(24)23-21-13-20-16-8-4-3-7-15(16)11-12-18(20)17-9-5-6-10-19(17)21/h3-14H,1-2H3,(H,23,24) |
| InChIKey | URVUIRFBEAUVEF-UHFFFAOYSA-N |
| Mol Weight | 313.4 g/mol |
| Molecular Formula | C22H19NO |
| Exact Mass | 313.146664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77dPVzXIgkL |
|---|---|
| Name | 6-Aminochrysene, N-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.146664235 u |
| Formula | C22H19NO |
| InChI | InChI=1S/C22H19NO/c1-14(2)22(24)23-21-13-20-16-8-4-3-7-15(16)11-12-18(20)17-9-5-6-10-19(17)21/h3-14H,1-2H3,(H,23,24) |
| InChIKey | URVUIRFBEAUVEF-UHFFFAOYSA-N |
| Molecular Weight | 313.400 g/mol |
| SMILES | C1=2C(=C3C(=C(C2)NC(C(C)C)=O)C=CC=C3)C=CC2=C1C=CC=C2 |