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5-methoxy-N-methyl-1-oxo-2-phenyl-N-tosyl-1H-indene-3-carboxamide
SpectraBase Compound ID henLLHtxOU
InChI InChI=1S/C25H21NO5S/c1-16-9-12-19(13-10-16)32(29,30)26(2)25(28)23-21-15-18(31-3)11-14-20(21)24(27)22(23)17-7-5-4-6-8-17/h4-15H,1-3H3
InChIKey KQLNZWBAIPKNOH-UHFFFAOYSA-N
Mol Weight 447.51 g/mol
Molecular Formula C25H21NO5S
Exact Mass 447.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gfcpok1geB3
Name 5-methoxy-N-methyl-1-oxo-2-phenyl-N-tosyl-1H-indene-3-carboxamide
Appearance Orange crystals
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Exact Mass 447.114043949 u
Formula C25H21NO5S
InChI InChI=1S/C25H21NO5S/c1-16-9-12-19(13-10-16)32(29,30)26(2)25(28)23-21-15-18(31-3)11-14-20(21)24(27)22(23)17-7-5-4-6-8-17/h4-15H,1-3H3
InChIKey KQLNZWBAIPKNOH-UHFFFAOYSA-N
Instrument Name Jeol JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201900996
Molecular Weight 447.505 g/mol
Reported Formula C25H21NO5S
SMILES C1(=CC2=C(C=C1)C(C(=C2C(N(C)S(C1=CC=C(C=C1)C)(=O)=O)=O)C1=CC=CC=C1)=O)OC
SPLASH splash10-000g-0090300000-85c257d56c510d4318ea
Source of Spectrum QE-25-SM43-2k (DOI: 10.1002/chem.201900996)
Thin-Layer Chromatography 0.43 (PE/EA, 2:1)
Wiley ID 1893846