SpectraBase Compound ID | 9uF9HP92Jge |
---|---|
InChI | InChI=1S/C7H12O2S2/c1-3-10-5-7(8-1)6-11-4-2-9-7/h1-6H2 |
InChIKey | AWILEVAQJGDCFN-UHFFFAOYSA-N |
Mol Weight | 192.29 g/mol |
Molecular Formula | C7H12O2S2 |
Exact Mass | 192.027872 g/mol |
SpectraBase Spectrum ID | HCxlD7yrR8b |
---|---|
Name | 1,7-Dioxa-4,10-dithiaspiro[5.5]undecane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 192.027871972 u |
Formula | C7H12O2S2 |
InChI | InChI=1S/C7H12O2S2/c1-3-10-5-7(8-1)6-11-4-2-9-7/h1-6H2 |
InChIKey | AWILEVAQJGDCFN-UHFFFAOYSA-N |
Molecular Weight | 192.291 g/mol |
SMILES | C1COC2(CS1)CSCCO2 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972855 |