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Ethyl 5-({[2-Hydroxy-4-oxo-2-(trifluoromethyl)chroman-3-ylidene]methyl}amino)-3-methylthiophene-2-carboxylate
SpectraBase Compound ID GS891tp7xQ3
InChI InChI=1S/C19H16F3NO5S/c1-3-27-17(25)16-10(2)8-14(29-16)23-9-12-15(24)11-6-4-5-7-13(11)28-18(12,26)19(20,21)22/h4-9,23,26H,3H2,1-2H3/b12-9-
InChIKey JWBKFJHGFZXOPE-XFXZXTDPSA-N
Mol Weight 427.39 g/mol
Molecular Formula C19H16F3NO5S
Exact Mass 427.070128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ib1FPNh3OOa
Name Ethyl 5-({[2-Hydroxy-4-oxo-2-(trifluoromethyl)chroman-3-ylidene]methyl}amino)-3-methylthiophene-2-carboxylate
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Formula C19H16F3NO5S
InChI InChI=1S/C19H16F3NO5S/c1-3-27-17(25)16-10(2)8-14(29-16)23-9-12-15(24)11-6-4-5-7-13(11)28-18(12,26)19(20,21)22/h4-9,23,26H,3H2,1-2H3/b12-9-
InChIKey JWBKFJHGFZXOPE-XFXZXTDPSA-N
Molecular Weight 427.394 g/mol
SMILES OC1(\C(=C/Nc2sc(C(=O)OCC)c(c2)C)C(c2c(O1)cccc2)=O)C(F)(F)F
SPLASH splash10-05i0-0927500000-6f321a8914a0d4f9571f
Source of Spectrum F4-41-3874-3n
Wiley ID 1673127