| SpectraBase Spectrum ID |
HBwFlAe2NIf |
| Name |
(+-)-1-[(2'R*,3'S*)-2'-methylthio-3'-hydroxyhexyl]piperidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.165685602 u |
| Formula |
C12H25NOS |
| InChI |
InChI=1S/C12H25NOS/c1-3-7-11(14)12(15-2)10-13-8-5-4-6-9-13/h11-12,14H,3-10H2,1-2H3/t11-,12+/m0/s1 |
| InChIKey |
NWZYKTSFKKHLOL-NWDGAFQWSA-N |
| Molecular Weight |
231.398 g/mol |
| SMILES |
C(N1CCCCC1)[C@@](SC)([C@@](O)(CCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911178 |
![(+-)-1-[(2'R*,3'S*)-2'-methylthio-3'-hydroxyhexyl]piperidine](/api/spectrum/HBwFlAe2NIf/structure.png?h=300&w=458 "(+-)-1-[(2'R*,3'S*)-2'-methylthio-3'-hydroxyhexyl]piperidine")
