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2-Phenyl-3-(4'-methoxybenzyl)-7-nitro-1,4-benzoxathiine-4,4-dioxide
SpectraBase Compound ID 3D584PjNukv
InChI InChI=1S/C22H17NO6S/c1-28-18-10-7-15(8-11-18)13-21-22(16-5-3-2-4-6-16)29-19-14-17(23(24)25)9-12-20(19)30(21,26)27/h2-12,14H,13H2,1H3
InChIKey CCNOANCFIAKDJJ-UHFFFAOYSA-N
Mol Weight 423.44 g/mol
Molecular Formula C22H17NO6S
Exact Mass 423.077658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tf0CH3Rlw
Name 2-Phenyl-3-(4'-methoxybenzyl)-7-nitro-1,4-benzoxathiine-4,4-dioxide
Alternate Name(s) 3-(4-Methoxybenzyl)-7-nitro-2-phenyl-1,4-benzoxathiin 4,4-dioxide Methyl 4-[(7-nitro-4,4-dioxido-2-phenyl-1,4-benzoxathiin-3-yl)methyl]phenyl ether 3-[(4-methoxyphenyl)methyl]-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide 3-[(4-methoxyphenyl)methyl]-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide
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Formula C22H17NO6S
InChI InChI=1S/C22H17NO6S/c1-28-18-10-7-15(8-11-18)13-21-22(16-5-3-2-4-6-16)29-19-14-17(23(24)25)9-12-20(19)30(21,26)27/h2-12,14H,13H2,1H3
InChIKey CCNOANCFIAKDJJ-UHFFFAOYSA-N
Molecular Weight 423.439 g/mol
SMILES C=1(S(c2c(OC1c1ccccc1)cc(cc2)N(=O)=O)(=O)=O)Cc1ccc(cc1)OC
SPLASH splash10-05fr-1952300000-859c70b4332d76030d29
Source of Spectrum SK-26-3986-3
Wiley ID 867440