![Benz[a]anthracene, 4-methyl-](/api/spectrum/6qazapq9r89/structure.png?h=300&w=458 "Benz[a]anthracene, 4-methyl-")
| SpectraBase Compound ID | 1yi1bK2kMNu |
|---|---|
| InChI | InChI=1S/C19H14/c1-13-5-4-8-18-17(13)10-9-16-11-14-6-2-3-7-15(14)12-19(16)18/h2-12H,1H3 |
| InChIKey | VXYNNEYZRYFXBG-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 | 6qazapq9r89 |
|---|---|
| Name | Benz[A]anthracene, 4-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/c1-13-5-4-8-18-17(13)10-9-16-11-14-6-2-3-7-15(14)12-19(16)18/h2-12H,1H3 |
| InChIKey | VXYNNEYZRYFXBG-UHFFFAOYSA-N |
| Molecular Weight | 242.321 g/mol |
| SMILES | C1(C)=C2C(C3=C(C=C2)C=C2C(=C3)C=CC=C2)=CC=C1 |