| SpectraBase Spectrum ID |
ClMUBMaZPp |
| Name |
2-(3-Hydroxybutyl)-3-methyl-6-(1-methyl-2-hydroxyethyl)-1-(hydroxymethyl)cyclohexane-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.214409442 u |
| Formula |
C15H30O4 |
| InChI |
InChI=1S/C15H30O4/c1-10-4-6-14(11(2)8-16)15(19,9-17)13(10)7-5-12(3)18/h10-14,16-19H,4-9H2,1-3H3/t10-,11-,12?,13+,14+,15-/m1/s1 |
| InChIKey |
BAYXATZJELQDDW-WNYOCHIISA-N |
| Molecular Weight |
274.401 g/mol |
| SMILES |
[C@@]1([C@@](CCC(O)C)([C@](C)(CC[C@]1([C@@](CO)(C)[H])[H])[H])[H])(O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938291 |
