| SpectraBase Compound ID | 6rMyWp8JqGa |
|---|---|
| InChI | InChI=1S/C19H14/c1-13-6-7-15-9-10-17-16-5-3-2-4-14(16)8-11-18(17)19(15)12-13/h2-12H,1H3 |
| InChIKey | JLIHUJWAXSZIHS-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 | 9mbCuUsulqV |
|---|---|
| Name | Chrysene, 3-methyl- |
| 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/c1-13-6-7-15-9-10-17-16-5-3-2-4-14(16)8-11-18(17)19(15)12-13/h2-12H,1H3 |
| InChIKey | JLIHUJWAXSZIHS-UHFFFAOYSA-N |
| Molecular Weight | 242.321 g/mol |
| SMILES | CC1=CC2=C3C(C4=C(C=C3)C=CC=C4)=CC=C2C=C1 |