| SpectraBase Compound ID | 4ayp4CTOlKS |
|---|---|
| InChI | InChI=1S/C20H16O/c1-13-6-7-15-11-16(12-21)20-17-5-3-2-4-14(17)8-9-18(20)19(15)10-13/h2-11,21H,12H2,1H3 |
| InChIKey | CURGXFJWGBZQTC-UHFFFAOYSA-N |
| Mol Weight | 272.35 g/mol |
| Molecular Formula | C20H16O |
| Exact Mass | 272.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2HQl5Bw3poA |
|---|---|
| Name | 5-(Hydroxymethyl)-9-methylchrysene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.120115134 u |
| Formula | C20H16O |
| InChI | InChI=1S/C20H16O/c1-13-6-7-15-11-16(12-21)20-17-5-3-2-4-14(17)8-9-18(20)19(15)10-13/h2-11,21H,12H2,1H3 |
| InChIKey | CURGXFJWGBZQTC-UHFFFAOYSA-N |
| SMILES | C1=2C(=C(CO)C=C3C2C=C(C=C3)C)C=2C=CC=CC2C=C1 |