| SpectraBase Spectrum ID |
7xJMDMElpvg |
| Name |
8-[Chloro(p-tolylsulfinyl)methyl]-8-[(4-methoxyphenyl)ethynyl]-1,4-dioxaspiro[4,5]decane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.131858219 u |
| Formula |
C25H27ClO4S |
| InChI |
InChI=1S/C25H27ClO4S/c1-19-3-9-22(10-4-19)31(27)23(26)24(12-11-20-5-7-21(28-2)8-6-20)13-15-25(16-14-24)29-17-18-30-25/h3-10,23H,13-18H2,1-2H3 |
| InChIKey |
SDLRPZZVAPIBPJ-UHFFFAOYSA-N |
| Molecular Weight |
459.000 g/mol |
| SMILES |
C(S(C=1C=CC(=CC1)C)=O)(C1(C#CC=2C=CC(=CC2)OC)CCC2(CC1)OCCO2)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869818 |
![8-[Chloro(p-tolylsulfinyl)methyl]-8-[(4-methoxyphenyl)ethynyl]-1,4-dioxaspiro[4,5]decane](/api/spectrum/7xJMDMElpvg/structure.png?h=300&w=458 "8-[Chloro(p-tolylsulfinyl)methyl]-8-[(4-methoxyphenyl)ethynyl]-1,4-dioxaspiro[4,5]decane")
