![4,7,12-Trimethylbenz[A]anthracene](/api/spectrum/6Q55t0d7wo1/structure.png?h=300&w=458 "4,7,12-Trimethylbenz[A]anthracene")
| SpectraBase Compound ID | IkCu7Sg9DSw |
|---|---|
| InChI | InChI=1S/C21H18/c1-13-7-6-10-20-16(13)11-12-19-14(2)17-8-4-5-9-18(17)15(3)21(19)20/h4-12H,1-3H3 |
| InChIKey | PYUNTMRZRNSDKA-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 | 6Q55t0d7wo1 |
|---|---|
| Name | 4,7,12-Trimethylbenz[A]anthracene |
| 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/c1-13-7-6-10-20-16(13)11-12-19-14(2)17-8-4-5-9-18(17)15(3)21(19)20/h4-12H,1-3H3 |
| InChIKey | PYUNTMRZRNSDKA-UHFFFAOYSA-N |
| Molecular Weight | 270.375 g/mol |
| SMILES | C1=2C(=CC=CC2)C(=C2C(=C1C)C=CC1=C2C=CC=C1C)C |