| SpectraBase Compound ID | ACzugx4Fznn |
|---|---|
| InChI | InChI=1S/C23H15NO3/c1-27-20-7-3-6-19(23(20)24(25)26)17-12-10-16-9-8-14-4-2-5-15-11-13-18(17)22(16)21(14)15/h2-13H,1H3 |
| InChIKey | MBBNIVYMIVQALS-UHFFFAOYSA-N |
| Mol Weight | 353.38 g/mol |
| Molecular Formula | C23H15NO3 |
| Exact Mass | 353.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQJPC06pION |
|---|---|
| Name | 1-(3-Methoxy-2-nitrophenyl)pyrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.105193344 u |
| Formula | C23H15NO3 |
| InChI | InChI=1S/C23H15NO3/c1-27-20-7-3-6-19(23(20)24(25)26)17-12-10-16-9-8-14-4-2-5-15-11-13-18(17)22(16)21(14)15/h2-13H,1H3 |
| InChIKey | MBBNIVYMIVQALS-UHFFFAOYSA-N |
| Molecular Weight | 353.377 g/mol |
| SMILES | C=1(N(=O)=O)C(C2=C3C4=C5C(C=CC=C5C=C3)=CC=C4C=C2)=CC=CC1OC |