| SpectraBase Compound ID | 2KysX9kTnuE |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9-11(14-12(2,3)13-9)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t9?,11-/m0/s1 |
| InChIKey | XHBYNHZRKPAKRJ-UMJHXOGRSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IzWybsOVXfv |
|---|---|
| Name | (+-)-(1R,5R)-1-phenylpropan-1,2-diol 1,2-acetonide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-9-11(14-12(2,3)13-9)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t9?,11-/m0/s1 |
| InChIKey | XHBYNHZRKPAKRJ-UMJHXOGRSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1(O[C@](C=2C=CC=CC2)(C(O1)C)[H])(C)C |