| SpectraBase Spectrum ID |
GpimadSCgMi |
| Name |
2-Isopropyl-2-[1'-benzyloxy-3',3'-(1'',3''-dioxocyclopentyl)butyl]-1,3-dithiane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.163637171 u |
| Formula |
C20H30O3S2 |
| InChI |
InChI=1S/C20H30O3S2/c1-16(2)20(24-12-7-13-25-20)18(14-19(3)22-10-11-23-19)21-15-17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15H2,1-3H3 |
| InChIKey |
SBEYAPSUGVHDLC-UHFFFAOYSA-N |
| Molecular Weight |
382.577 g/mol |
| SMILES |
C1(C(CC2(OCCO2)C)OCC2=CC=CC=C2)(SCCCS1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838411 |
![2-Isopropyl-2-[1'-benzyloxy-3',3'-(1'',3''-dioxocyclopentyl)butyl]-1,3-dithiane](/api/spectrum/GpimadSCgMi/structure.png?h=300&w=458 "2-Isopropyl-2-[1'-benzyloxy-3',3'-(1'',3''-dioxocyclopentyl)butyl]-1,3-dithiane")
