| SpectraBase Spectrum ID |
88y6887Jn9N |
| Name |
1-Tolyloxy-2-hydroxy-3-cyclohexyloxypropane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.172544630 u |
| Formula |
C16H24O3 |
| InChI |
InChI=1S/C16H24O3/c1-13-7-9-16(10-8-13)19-12-14(17)11-18-15-5-3-2-4-6-15/h7-10,14-15,17H,2-6,11-12H2,1H3 |
| InChIKey |
GBEAXXOQFKEYER-UHFFFAOYSA-N |
| Molecular Weight |
264.365 g/mol |
| SMILES |
OC(COc1ccc(cc1)C)COC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918437 |
