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

View entire compound with spectra: 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gm7f3RE5579
Name Benzoic acid, 4-(2,5-dioxo-4-thiazolidinylidenomethyl)-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 263.267 g/mol
SMILES N1C(SC(\C1=C\c1ccc(cc1)C(=O)OC)=O)=O
SPLASH splash10-01ox-4920000000-4a2700051627cad90174
Source of Spectrum AD-0-2532-0
Synonyms 4-[(E)-(2,5-diketothiazolidin-4-ylidene)methyl]benzoic acid methyl ester 4-[(E)-(2,5-dioxo-4-thiazolidinylidene)methyl]benzoic acid methyl ester Methyl 4-[(E)-(2,5-dioxo-1,3-thiazolidin-4-ylidene)methyl]benzoate Methyl 4-[(E)-(2,5-dioxothiazolidin-4-ylidene)methyl]benzoate Methyl 4-[(E)-[2,5-bis(oxidanylidene)-1,3-thiazolidin-4-ylidene]methyl]benzoate
Wiley ID 1427830