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Ethyl 2-(2-imino-2H-chromene-3-carboxamido)-4-methyl-5-(phenylcarbamoyl) thiophene-3-carboxylate
SpectraBase Compound ID DMNnDZbNXTy
InChI InChI=1S/C25H21N3O5S/c1-3-32-25(31)19-14(2)20(23(30)27-16-10-5-4-6-11-16)34-24(19)28-22(29)17-13-15-9-7-8-12-18(15)33-21(17)26/h4-13,26H,3H2,1-2H3,(H,27,30)(H,28,29)
InChIKey BEWBWNNFXVZFCV-UHFFFAOYSA-N
Mol Weight 475.52 g/mol
Molecular Formula C25H21N3O5S
Exact Mass 475.120192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ityx0FCH4Q0
Name Ethyl 2-(2-imino-2H-chromene-3-carboxamido)-4-methyl-5-(phenylcarbamoyl) thiophene-3-carboxylate
Appearance Yellow crystals
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Formula C25H21N3O5S
InChI InChI=1S/C25H21N3O5S/c1-3-32-25(31)19-14(2)20(23(30)27-16-10-5-4-6-11-16)34-24(19)28-22(29)17-13-15-9-7-8-12-18(15)33-21(17)26/h4-13,26H,3H2,1-2H3,(H,27,30)(H,28,29)
InChIKey BEWBWNNFXVZFCV-UHFFFAOYSA-N
Instrument Name Finnegan MAT 212
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2622
Molecular Weight 475.519 g/mol
SMILES N(C(c1c(c(c(s1)NC(C=1C(Oc2c(C1)cccc2)=N)=O)C(OCC)=O)C)=O)c1ccccc1
SPLASH splash10-03xr-1981000000-27080c70f435b69e36db
Source of Spectrum Y-54-568-22
Wiley ID 1880701