| SpectraBase Compound ID | AACritGhdxQ |
|---|---|
| InChI | InChI=1S/C15H16O2/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15-/m1/s1 |
| InChIKey | NCCYBEZNRYYHRY-HUUCEWRRSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C15H16O2 |
| Exact Mass | 228.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbcjPji58J3 |
|---|---|
| Name | 1,2-Propanediol, 1,3-diphenyl-, (R*,R*)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.115029753 u |
| Formula | C15H16O2 |
| InChI | InChI=1S/C15H16O2/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15-/m1/s1 |
| InChIKey | NCCYBEZNRYYHRY-HUUCEWRRSA-N |
| Molecular Weight | 228.291 g/mol |
| SMILES | [C@@]([C@@](C=1C=CC=CC1)(O)[H])(CC1=CC=CC=C1)(O)[H] |