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4-[[4-[(E)-[1-(4-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid

View entire compound with spectra: 1 MS (GC)

4-[[4-[(E)-[1-(4-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid
SpectraBase Compound ID HdiFtcpsA3T
InChI InChI=1S/C26H19FN2O6S/c1-34-22-13-16(4-11-21(22)35-14-15-2-5-17(6-3-15)25(32)33)12-20-23(30)28-26(36)29(24(20)31)19-9-7-18(27)8-10-19/h2-13H,14H2,1H3,(H,32,33)(H,28,30,36)/b20-12+
InChIKey TXNHGAPOKDSJCJ-UDWIEESQSA-N
Mol Weight 506.5 g/mol
Molecular Formula C26H19FN2O6S
Exact Mass 506.094786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JEFd2JSDl9
Name 4-[[4-[(E)-[1-(4-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid
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Formula C26H19FN2O6S
InChI InChI=1S/C26H19FN2O6S/c1-34-22-13-16(4-11-21(22)35-14-15-2-5-17(6-3-15)25(32)33)12-20-23(30)28-26(36)29(24(20)31)19-9-7-18(27)8-10-19/h2-13H,14H2,1H3,(H,32,33)(H,28,30,36)/b20-12+
InChIKey TXNHGAPOKDSJCJ-UDWIEESQSA-N
Molecular Weight 506.504 g/mol
SMILES N1C(\C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(c2)OC)C(N(C1=S)c1ccc(cc1)F)=O)=O
SPLASH splash10-000i-5900000000-b742703c6a778c1c0e6a
Synonyms 4-[[4-[(E)-[1-(4-fluorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid 4-[[4-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid 4-[[4-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid
Wiley ID 1444909