| SpectraBase Spectrum ID |
AnmxZ9mESzl |
| Name |
(2-Hydroxy-6-propyl-cyclohexyl)-phenyl-methanone |
| 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/c1-2-7-12-10-6-11-14(17)15(12)16(18)13-8-4-3-5-9-13/h3-5,8-9,12,14-15,17H,2,6-7,10-11H2,1H3/t12-,14-,15+/m1/s1 |
| InChIKey |
VLKIXDFVQMSPHR-YUELXQCFSA-N |
| Molecular Weight |
246.350 g/mol |
| SMILES |
[C@]1(O)(CCC[C@]([C@@]1(C(=O)C1=CC=CC=C1)[H])(CCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889861 |
