| SpectraBase Spectrum ID |
LjYj0kzFXow |
| Name |
Cyclooctanone, 2-(2-hydroxy-2-phenylethyl)-, (R*,R*)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.161979946 u |
| Formula |
C16H22O2 |
| InChI |
InChI=1S/C16H22O2/c17-15-11-7-2-1-4-10-14(15)12-16(18)13-8-5-3-6-9-13/h3,5-6,8-9,14,16,18H,1-2,4,7,10-12H2/t14-,16-/m1/s1 |
| InChIKey |
CLIJKOMBPZTXPK-GDBMZVCRSA-N |
| Molecular Weight |
246.350 g/mol |
| SMILES |
C([C@@]1(C(=O)CCCCCC1)[H])[C@](C1=CC=CC=C1)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801147 |
