| SpectraBase Compound ID | RN23x0AgxI |
|---|---|
| InChI | InChI=1S/C21H14/c1-13-4-2-7-16-12-17-9-8-14-5-3-6-15-10-11-18(19(13)16)21(17)20(14)15/h2-12H,1H3 |
| InChIKey | COOUMHVNORGIOH-UHFFFAOYSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C21H14 |
| Exact Mass | 266.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmIrGaNTEOC |
|---|---|
| Name | 10-Methylbenzo(A)pyrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.109550451 u |
| Formula | C21H14 |
| InChI | InChI=1S/C21H14/c1-13-4-2-7-16-12-17-9-8-14-5-3-6-15-10-11-18(19(13)16)21(17)20(14)15/h2-12H,1H3 |
| InChIKey | COOUMHVNORGIOH-UHFFFAOYSA-N |
| Molecular Weight | 266.343 g/mol |
| SMILES | C1=CC2=C(C(=C1)C)C1=C3C(=C2)C=CC2=C3C(C=C1)=CC=C2 |