| SpectraBase Spectrum ID |
BWOTUqUQKIL |
| Name |
(1S*,2R*)-1-(5',5'-Dimethyl-1',3'-dioxan-2'-yl)-2-phenylethane-1,2-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-14(2)8-17-13(18-9-14)12(16)11(15)10-6-4-3-5-7-10/h3-7,11-13,15-16H,8-9H2,1-2H3/t11-,12+/m1/s1 |
| InChIKey |
LWZOZQRZDKRIMC-NEPJUHHUSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
[C@](C1OCC(CO1)(C)C)([C@@](C=1C=CC=CC1)(O)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930948 |
