| SpectraBase Spectrum ID |
7SF1S0SK0qW |
| Name |
(1R*,6R*,9R*)-2,5-Dithia-7-(p-methoxyphenyl)-9-methyl-7-azabicyclo[4.3.0]nonane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.090806583 u |
| Formula |
C14H19NOS2 |
| InChI |
InChI=1S/C14H19NOS2/c1-10-9-15(14-13(10)17-7-8-18-14)11-3-5-12(16-2)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3/t10-,13+,14+/m1/s1 |
| InChIKey |
KHJIFACJVJOYRO-SWHYSGLUSA-N |
| SMILES |
[C@@]12(N(C[C@]([C@@]2(SCCS1)[H])(C)[H])C1=CC=C(C=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925503 |
![(1R*,6R*,9R*)-2,5-Dithia-7-(p-methoxyphenyl)-9-methyl-7-azabicyclo[4.3.0]nonane](/api/spectrum/7SF1S0SK0qW/structure.png?h=300&w=458 "(1R*,6R*,9R*)-2,5-Dithia-7-(p-methoxyphenyl)-9-methyl-7-azabicyclo[4.3.0]nonane")
