| SpectraBase Compound ID | 5ErV45KqiAn |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15-18H,1-2H3 |
| InChIKey | ZYLCBIATOIJBEH-UHFFFAOYSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CX3mMbPsEDT |
|---|---|
| Name | 1,2-bis(4-Methylphenyl)ethane-1,2-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.130679818 u |
| Formula | C16H18O2 |
| InChI | InChI=1S/C16H18O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15-18H,1-2H3 |
| InChIKey | ZYLCBIATOIJBEH-UHFFFAOYSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C(C(O)C=1C=CC(=CC1)C)(O)C=1C=CC(=CC1)C |