| SpectraBase Compound ID | 4QPj1EGjzyn |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-13-6-5-7-18-20(13,3)11-10-14(2)21(18,4)12-15-16(22)8-9-17(23)19(15)24/h8-9,14,18,22-24H,1,5-7,10-12H2,2-4H3/t14-,18-,20+,21+/m0/s1 |
| InChIKey | RAERTJBXAIXTAE-JFJAIVLJSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OuWv1NnUoo |
|---|---|
| Name | 6'-Hydroxyarenarol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.219494823 u |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-13-6-5-7-18-20(13,3)11-10-14(2)21(18,4)12-15-16(22)8-9-17(23)19(15)24/h8-9,14,18,22-24H,1,5-7,10-12H2,2-4H3/t14-,18-,20+,21+/m0/s1 |
| InChIKey | RAERTJBXAIXTAE-JFJAIVLJSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | [C@]1([C@@]2([C@](C(=C)CCC2)(C)CC[C@@]1(C)[H])[H])(CC=1C(=C(O)C=CC1O)O)C |