![12-(1-Hydroxyethyl)-7-methylbenz[A]anthracene](/api/spectrum/BbPduxIVsFE/structure.png?h=300&w=458 "12-(1-Hydroxyethyl)-7-methylbenz[A]anthracene")
| SpectraBase Compound ID | 39znjpKKXvG |
|---|---|
| InChI | InChI=1S/C21H18O/c1-13-16-8-5-6-10-19(16)20(14(2)22)21-17(13)12-11-15-7-3-4-9-18(15)21/h3-12,14,22H,1-2H3 |
| InChIKey | ZMHSAQXXRCILKL-UHFFFAOYSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C21H18O |
| Exact Mass | 286.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbPduxIVsFE |
|---|---|
| Name | 12-(1-Hydroxyethyl)-7-methylbenz[A]anthracene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.135765199 u |
| Formula | C21H18O |
| InChI | InChI=1S/C21H18O/c1-13-16-8-5-6-10-19(16)20(14(2)22)21-17(13)12-11-15-7-3-4-9-18(15)21/h3-12,14,22H,1-2H3 |
| InChIKey | ZMHSAQXXRCILKL-UHFFFAOYSA-N |
| Molecular Weight | 286.374 g/mol |
| SMILES | C1=CC2=C(C=C1)C(=C1C(=C2C)C=CC2=C1C=CC=C2)C(O)C |