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Benzoic acid, 4-(2,5-dioxo-4-thiazolidinylidenomethyl)-, methyl ester

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Benzoic acid, 4-(2,5-dioxo-4-thiazolidinylidenomethyl)-, methyl ester
SpectraBase Compound ID 7cN17TBJCtj
InChI InChI=1S/C12H9NO4S/c1-17-10(14)8-4-2-7(3-5-8)6-9-11(15)18-12(16)13-9/h2-6H,1H3,(H,13,16)/b9-6+
InChIKey NJLRLIPJSBHNNV-RMKNXTFCSA-N
Mol Weight 263.27 g/mol
Molecular Formula C12H9NO4S
Exact Mass 263.025229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JWaSSLfQSev
Name Benzoic acid, 4-(2,5-dioxo-4-thiazolidinylidenomethyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.025228944 u
Formula C12H9NO4S
InChI InChI=1S/C12H9NO4S/c1-17-10(14)8-4-2-7(3-5-8)6-9-11(15)18-12(16)13-9/h2-6H,1H3,(H,13,16)/b9-6+
InChIKey NJLRLIPJSBHNNV-RMKNXTFCSA-N
SMILES C1(SC(=O)N\C1=C/C1=CC=C(C(OC)=O)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935915