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 |