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Methyl 2-[(5-oxido-5.gamma.4-dibenzo[b,d]thiophen-5-ylidene)amino]benzoate
SpectraBase Compound ID 2mOs8EzYEUb
InChI InChI=1S/C20H15NO3S/c1-24-20(22)16-10-2-5-11-17(16)21-25(23)18-12-6-3-8-14(18)15-9-4-7-13-19(15)25/h2-13H,1H3
InChIKey GRUGDWMVPZIENO-UHFFFAOYSA-N
Mol Weight 349.4 g/mol
Molecular Formula C20H15NO3S
Exact Mass 349.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HSZbOddvk
Name Methyl 2-[(5-oxido-5.gamma.4-dibenzo[b,d]thiophen-5-ylidene)amino]benzoate
Appearance Pale yellow solid
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Formula C20H15NO3S
InChI InChI=1S/C20H15NO3S/c1-24-20(22)16-10-2-5-11-17(16)21-25(23)18-12-6-3-8-14(18)15-9-4-7-13-19(15)25/h2-13H,1H3
InChIKey GRUGDWMVPZIENO-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705025
Molecular Weight 349.404 g/mol
Quality 182
Reported Formula C20H15O3NS
SMILES C1=2S(C3=C(C2C=CC=C1)C=CC=C3)(=NC1=C(C=CC=C1)C(=O)OC)=O
SPLASH splash10-0uea-0419000000-31513c9df45a54a74981
Source of Spectrum ACI-56-SM7-1m (DOI: 10.1002/anie.201705025)
Thin-Layer Chromatography 0.42 (pentane/EtOAc, 2:1)
Wiley ID 1896217