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4-Phenyl-2-phenylamino-5-(2-phenylamino-acetyl)-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID HJoti6VIVbO
InChI InChI=1S/C27H24N2O3S/c1-2-32-27(31)24-23(19-12-6-3-7-13-19)25(22(30)18-28-20-14-8-4-9-15-20)33-26(24)29-21-16-10-5-11-17-21/h3-17,28-29H,2,18H2,1H3
InChIKey OJKHXZDQIFRTDM-UHFFFAOYSA-N
Mol Weight 456.56 g/mol
Molecular Formula C27H24N2O3S
Exact Mass 456.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GSpm0EyPnA
Name 4-Phenyl-2-phenylamino-5-(2-phenylamino-acetyl)-thiophene-3-carboxylic acid ethyl ester
Appearance Pale green powder
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Formula C27H24N2O3S
InChI InChI=1S/C27H24N2O3S/c1-2-32-27(31)24-23(19-12-6-3-7-13-19)25(22(30)18-28-20-14-8-4-9-15-20)33-26(24)29-21-16-10-5-11-17-21/h3-17,28-29H,2,18H2,1H3
InChIKey OJKHXZDQIFRTDM-UHFFFAOYSA-N
Instrument Name Shimadzu QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3999
Molecular Weight 456.560 g/mol
SMILES N(CC(c1c(c(c(s1)Nc1ccccc1)C(=O)OCC)-c1ccccc1)=O)c1ccccc1
SPLASH splash10-052f-3960200000-695497ec16275b4184ef
Source of Spectrum Y-57-SM3-9a
Wiley ID 1860273