| SpectraBase Compound ID | JbhbvyU8XnA |
|---|---|
| InChI | InChI=1S/C12H14O3/c13-11-8-4-7-10(15-11)12(14)9-5-2-1-3-6-9/h1-3,5-6,10,12,14H,4,7-8H2/t10-,12+/m1/s1 |
| InChIKey | GRZFVRIMGYRULN-PWSUYJOCSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6kadwbUwd2w |
|---|---|
| Name | (5R,6S)-6-(.alpha.-Phenylhydroxymethyl)tetrrahydropyranone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c13-11-8-4-7-10(15-11)12(14)9-5-2-1-3-6-9/h1-3,5-6,10,12,14H,4,7-8H2/t10-,12+/m1/s1 |
| InChIKey | GRZFVRIMGYRULN-PWSUYJOCSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | [C@@]1(OC(CCC1)=O)([C@](C1=CC=CC=C1)(O)[H])[H] |