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Dimethyl 2,2,4,4-tetramethyl-1-oxospiro[cyclobutane-3,2'-(1,3,4)-thiadiazolidine]-3',4'-dicarboxylate
SpectraBase Compound ID 6YdsOzterx7
InChI InChI=1S/C13H20N2O5S/c1-11(2)8(16)12(3,4)13(11)15(10(18)20-6)14(7-21-13)9(17)19-5/h7H2,1-6H3
InChIKey FZESLBKXWCQZJK-UHFFFAOYSA-N
Mol Weight 316.37 g/mol
Molecular Formula C13H20N2O5S
Exact Mass 316.109293 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HOc7GUDoYaT
Name Dimethyl 2,2,4,4-tetramethyl-1-oxospiro[cyclobutane-3,2'-(1,3,4)-thiadiazolidine]-3',4'-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.109292921 u
Formula C13H20N2O5S
InChI InChI=1S/C13H20N2O5S/c1-11(2)8(16)12(3,4)13(11)15(10(18)20-6)14(7-21-13)9(17)19-5/h7H2,1-6H3
InChIKey FZESLBKXWCQZJK-UHFFFAOYSA-N
Molecular Weight 316.372 g/mol
SMILES C12(N(N(C(=O)OC)CS2)C(=O)OC)C(C)(C)C(C1(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941904