| SpectraBase Spectrum ID |
8tawO0S9ul3 |
| Name |
(1R,5S,7R)-3-Ethyl-5,6,6-trimethyl-2-thia-4-azatricyclo[5.2.1.0(1,5)]dec-3-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.139470854 u |
| Formula |
C13H21NS |
| InChI |
InChI=1S/C13H21NS/c1-5-10-14-12(4)11(2,3)9-6-7-13(12,8-9)15-10/h9H,5-8H2,1-4H3/t9-,12+,13-/m1/s1 |
| InChIKey |
BSPWPHCXRSCSLV-JIMOISOXSA-N |
| Molecular Weight |
223.378 g/mol |
| SMILES |
[C@@]123SC(=N[C@]3(C([C@](CC1)(C2)[H])(C)C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886489 |
![(1R,5S,7R)-3-Ethyl-5,6,6-trimethyl-2-thia-4-azatricyclo[5.2.1.0(1,5)]dec-3-ene](/api/spectrum/8tawO0S9ul3/structure.png?h=300&w=458 "(1R,5S,7R)-3-Ethyl-5,6,6-trimethyl-2-thia-4-azatricyclo[5.2.1.0(1,5)]dec-3-ene")
