| SpectraBase Spectrum ID |
DfIPYoAZwRZ |
| Name |
(3S*,6R*)-6-(4-Fluorophenyl)-4-(propan-2-ylidene)oxan-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.121257948 u |
| Formula |
C14H17FO2 |
| InChI |
InChI=1S/C14H17FO2/c1-9(2)12-7-14(17-8-13(12)16)10-3-5-11(15)6-4-10/h3-6,13-14,16H,7-8H2,1-2H3/t13-,14-/m1/s1 |
| InChIKey |
HMEYZLVYBVQEDW-ZIAGYGMSSA-N |
| Molecular Weight |
236.286 g/mol |
| SMILES |
C1C([C@@](CO[C@]1(C1=CC=C(C=C1)F)[H])(O)[H])=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86179 |
