SpectraBase Spectrum ID |
KHFIdrL855W |
Name |
4-Ethyl-1,2-dimethyl-7-tert-butyl-trans-decahydroquinolin-4-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
267.256214686 u |
Formula |
C17H33NO |
InChI |
InChI=1S/C17H33NO/c1-7-17(19)11-12(2)18(6)15-10-13(16(3,4)5)8-9-14(15)17/h12-15,19H,7-11H2,1-6H3 |
InChIKey |
GRWARQPFUWAWDM-UHFFFAOYSA-N |
Molecular Weight |
267.457 g/mol |
SMILES |
C1(CCC2C(C1)N(C(CC2(O)CC)C)C)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933179 |