| SpectraBase Compound ID | Ko8w7wUkm7u |
|---|---|
| InChI | InChI=1S/C23H21NO/c1-23(2,3)22(25)24-21-14-20-16-9-5-4-8-15(16)12-13-18(20)17-10-6-7-11-19(17)21/h4-14H,1-3H3,(H,24,25) |
| InChIKey | YSEFXIAXHFBRNV-UHFFFAOYSA-N |
| Mol Weight | 327.43 g/mol |
| Molecular Formula | C23H21NO |
| Exact Mass | 327.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OrpFB1XYI7 |
|---|---|
| Name | 6-Aminochrysene, N-trimethylacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.162314299 u |
| Formula | C23H21NO |
| InChI | InChI=1S/C23H21NO/c1-23(2,3)22(25)24-21-14-20-16-9-5-4-8-15(16)12-13-18(20)17-10-6-7-11-19(17)21/h4-14H,1-3H3,(H,24,25) |
| InChIKey | YSEFXIAXHFBRNV-UHFFFAOYSA-N |
| Molecular Weight | 327.427 g/mol |
| SMILES | C1=2C(=C3C(=C(C2)NC(C(C)(C)C)=O)C=CC=C3)C=CC2=C1C=CC=C2 |