| SpectraBase Spectrum ID |
Kmnpzh1XnMF |
| Name |
(1S,4S,5S,6S,8S,11R)-3-Benzyl-6-isipropenyl-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undecan-5-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.240564621 u |
| Formula |
C21H31NO |
| InChI |
InChI=1S/C21H31NO/c1-14(2)18-11-16-9-10-17-13-22(12-15-7-5-4-6-8-15)20(19(18)23)21(16,17)3/h4-8,14,16-20,23H,9-13H2,1-3H3/t16-,17+,18-,19-,20+,21+/m0/s1 |
| InChIKey |
FEEBDRWJPNCTFX-NXMWLWCLSA-N |
| SMILES |
[C@]12(N(C[C@@]3([C@]2([C@](CC3)([H])C[C@]([C@@]1(O)[H])(C(C)C)[H])C)[H])CC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853106 |
![(1S,4S,5S,6S,8S,11R)-3-Benzyl-6-isipropenyl-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undecan-5-ol](/api/spectrum/Kmnpzh1XnMF/structure.png?h=300&w=458 "(1S,4S,5S,6S,8S,11R)-3-Benzyl-6-isipropenyl-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undecan-5-ol")
