| SpectraBase Spectrum ID |
LWuuq1MTZiA |
| Name |
1-Methyl-4(equat)ethyl-trans-decahydroquinol-4(axial)-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
197.177964364 u |
| Formula |
C12H23NO |
| InChI |
InChI=1S/C12H23NO/c1-3-12(14)8-9-13(2)11-7-5-4-6-10(11)12/h10-11,14H,3-9H2,1-2H3 |
| InChIKey |
IRKJQSTYOJWFMW-UHFFFAOYSA-N |
| Molecular Weight |
197.322 g/mol |
| SMILES |
C1CCC2C(C1)N(CCC2(O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857377 |
