| SpectraBase Compound ID | Gfdek2x7eOu |
|---|---|
| InChI | InChI=1S/C19H14/c1-13-6-9-17-15(12-13)8-11-18-16-5-3-2-4-14(16)7-10-19(17)18/h2-12H,1H3 |
| InChIKey | PJVVBVYEMMJZCY-UHFFFAOYSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C19H14 |
| Exact Mass | 242.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DhvRjtBwQyv |
|---|---|
| Name | 2-Methylchrysene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.109550451 u |
| Formula | C19H14 |
| InChI | InChI=1S/C19H14/c1-13-6-9-17-15(12-13)8-11-18-16-5-3-2-4-14(16)7-10-19(17)18/h2-12H,1H3 |
| InChIKey | PJVVBVYEMMJZCY-UHFFFAOYSA-N |
| Molecular Weight | 242.321 g/mol |
| SMILES | C1=2C(=CC=CC2)C2=C(C=C1)C1=C(C=C(C=C1)C)C=C2 |