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4-Methoxy-[(4'-nitrodiphenyl)methyl]-(tolyl)-sulfone
SpectraBase Compound ID 9t5K8oqy4p7
InChI InChI=1S/C21H20NO5S/c1-21(27-2)14-12-19(13-15-21)28(25,26)20(16-6-4-3-5-7-16)17-8-10-18(11-9-17)22(23)24/h3-15,20H,1-2H3
InChIKey HAIMNZACUNDZGS-UHFFFAOYSA-N
Mol Weight 398.45 g/mol
Molecular Formula C21H20NO5S
Exact Mass 398.106219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ecz8JHODEQ
Name 4-Methoxy-[(4'-nitrodiphenyl)methyl]-(tolyl)-sulfone
Comments Note: The molecular formula of the structure shown is C21H20NO5S - which differs from the formula reported for the mass spectrum (C20H17NO5S)
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Formula C20H17NO5S
InChI InChI=1S/C21H20NO5S/c1-21(27-2)14-12-19(13-15-21)28(25,26)20(16-6-4-3-5-7-16)17-8-10-18(11-9-17)22(23)24/h3-15,20H,1-2H3
InChIKey HAIMNZACUNDZGS-UHFFFAOYSA-N
Molecular Weight 398.453 g/mol
SMILES c1(S(=O)(=O)C(c2ccccc2)c2ccc(cc2)N(=O)=O)cc[c](cc1)(C)OC
SPLASH splash10-0006-0690000000-4e4886138e34f48f3b4c
Source of Spectrum SK-27-141-5
Wiley ID 867633