| SpectraBase Compound ID | JGwTcJdcYMJ |
|---|---|
| InChI | InChI=1S/C21H18/c1-13-8-9-16-10-11-19-14(2)17-6-4-5-7-18(17)15(3)21(19)20(16)12-13/h4-12H,1-3H3 |
| InChIKey | ZMRPKSZAJUNIAT-UHFFFAOYSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C21H18 |
| Exact Mass | 270.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2aQ0uNX07z4 |
|---|---|
| Name | Benz(A)anthracene, 2,7,12-trimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.140850580 u |
| Formula | C21H18 |
| InChI | InChI=1S/C21H18/c1-13-8-9-16-10-11-19-14(2)17-6-4-5-7-18(17)15(3)21(19)20(16)12-13/h4-12H,1-3H3 |
| InChIKey | ZMRPKSZAJUNIAT-UHFFFAOYSA-N |
| Molecular Weight | 270.375 g/mol |
| SMILES | C1=CC2=C(C=C1)C(=C1C(=C2C)C=CC2=C1C=C(C)C=C2)C |