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(Z)-2-(4-Oxo-2-thioxo-5-(2,3,4-trifluorobenzylidene)thiazolidin-3-yl)acetic acid
SpectraBase Compound ID 3AoST0X46jW
InChI InChI=1S/C12H6F3NO3S2/c13-6-2-1-5(9(14)10(6)15)3-7-11(19)16(4-8(17)18)12(20)21-7/h1-3H,4H2,(H,17,18)/b7-3-
InChIKey CRUPMUNQNYSGMN-CLTKARDFSA-N
Mol Weight 333.3 g/mol
Molecular Formula C12H6F3NO3S2
Exact Mass 332.97412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12sfZZrryu
Name (Z)-2-(4-Oxo-2-thioxo-5-(2,3,4-trifluorobenzylidene)thiazolidin-3-yl)acetic acid
Alternate Name(s) 2-[(5Z)-4-oxo-2-sulfanylidene-5-[(2,3,4-trifluorophenyl)methylidene]-3-thiazolidinyl]acetic acid 2-[(5Z)-4-oxo-2-sulfanylidene-5-[(2,3,4-trifluorophenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid 2-[(5Z)-4-oxo-2-thioxo-5-[(2,3,4-trifluorophenyl)methylene]thiazolidin-3-yl]acetic acid 2-[(5Z)-4-oxidanylidene-2-sulfanylidene-5-[[2,3,4-tris(fluoranyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]ethanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H6F3NO3S2
InChI InChI=1S/C12H6F3NO3S2/c13-6-2-1-5(9(14)10(6)15)3-7-11(19)16(4-8(17)18)12(20)21-7/h1-3H,4H2,(H,17,18)/b7-3-
InChIKey CRUPMUNQNYSGMN-CLTKARDFSA-N
Molecular Weight 333.299 g/mol
SMILES OC(CN1C(S\C(C1=O)=C\c1c(c(F)c(cc1)F)F)=S)=O
SPLASH splash10-000i-0904000000-df556104385532a1d79a
Source of Spectrum F2-45-1671-5
Wiley ID 1688989