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Trimethyl 3-cyano-2-methylthio-2-propene-1,1,3-tricarboxylate
SpectraBase Compound ID 62lf5PWbj85
InChI InChI=1S/C11H13NO6S/c1-16-9(13)6(5-12)8(19-4)7(10(14)17-2)11(15)18-3/h7H,1-4H3/b8-6-
InChIKey GJFUTEAJADNPDI-VURMDHGXSA-N
Mol Weight 287.29 g/mol
Molecular Formula C11H13NO6S
Exact Mass 287.046358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 92s894HhFvi
Name Trimethyl 3-cyano-2-methylthio-2-propene-1,1,3-tricarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.046358311 u
Formula C11H13NO6S
InChI InChI=1S/C11H13NO6S/c1-16-9(13)6(5-12)8(19-4)7(10(14)17-2)11(15)18-3/h7H,1-4H3/b8-6-
InChIKey GJFUTEAJADNPDI-VURMDHGXSA-N
SMILES CS\C(C(C(=O)OC)C(=O)OC)=C/(C#N)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985054