| SpectraBase Spectrum ID |
9BI1AOgdHlT |
| Name |
(1.beta.,4.beta.,7.beta.,8.beta.,9.alpha.)3-Ethyl-9-methoxy-1-methyl-3-azatricyclo[5.4.0.0(4,8)]undecan-9-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.188529047 u |
| Formula |
C14H25NO2 |
| InChI |
InChI=1S/C14H25NO2/c1-4-15-9-13(2)7-8-14(16,17-3)12-10(13)5-6-11(12)15/h10-12,16H,4-9H2,1-3H3/t10-,11+,12-,13+,14+/m1/s1 |
| InChIKey |
QOELRJCROMZOBL-BJJPWKGXSA-N |
| Molecular Weight |
239.359 g/mol |
| Nominal Mass |
239 u |
| SMILES |
[C@@]12(CN([C@]3(CC[C@@]1([C@]3([C@@](CC2)(O)OC)[H])[H])[H])CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92866 |
![(1.beta.,4.beta.,7.beta.,8.beta.,9.alpha.)3-Ethyl-9-methoxy-1-methyl-3-azatricyclo[5.4.0.0(4,8)]undecan-9-ol](/api/spectrum/9BI1AOgdHlT/structure.png?h=300&w=458 "(1.beta.,4.beta.,7.beta.,8.beta.,9.alpha.)3-Ethyl-9-methoxy-1-methyl-3-azatricyclo[5.4.0.0(4,8)]undecan-9-ol")
