| SpectraBase Spectrum ID |
GFjzlRzLIHA |
| Name |
Anti-(3S,4R)-3-methyl-4-phenylsulfanyl-1-oxaspiro[4.11]hexadecane-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.212301442 u |
| Formula |
C22H32O2S |
| InChI |
InChI=1S/C22H32O2S/c1-18-20(25-19-14-10-9-11-15-19)22(24-21(18)23)16-12-7-5-3-2-4-6-8-13-17-22/h9-11,14-15,18,20H,2-8,12-13,16-17H2,1H3/t18-,20-/m1/s1 |
| InChIKey |
GJHUQXBKMZXBMX-UYAOXDASSA-N |
| Molecular Weight |
360.556 g/mol |
| SMILES |
C1([C@@]([C@@](SC2=CC=CC=C2)(C2(O1)CCCCCCCCCCC2)[H])(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832615 |
![Anti-(3S,4R)-3-methyl-4-phenylsulfanyl-1-oxaspiro[4.11]hexadecane-2-one](/api/spectrum/GFjzlRzLIHA/structure.png?h=300&w=458 "Anti-(3S,4R)-3-methyl-4-phenylsulfanyl-1-oxaspiro[4.11]hexadecane-2-one")
