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2-Phenyl-3-(2'-methylallyl)-7-nitro-1,4-benzoxathiine-4,4-dioxide
SpectraBase Compound ID HHVG0tHmiJV
InChI InChI=1S/C18H15NO5S/c1-12(2)10-17-18(13-6-4-3-5-7-13)24-15-11-14(19(20)21)8-9-16(15)25(17,22)23/h3-9,11H,1,10H2,2H3
InChIKey RRAKJAABHAZGET-UHFFFAOYSA-N
Mol Weight 357.38 g/mol
Molecular Formula C18H15NO5S
Exact Mass 357.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyknCzU8zif
Name 2-Phenyl-3-(2'-methylallyl)-7-nitro-1,4-benzoxathiine-4,4-dioxide
Alternate Name(s) 3-(2-Methylprop-2-enyl)-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide 3-(2-Methylallyl)-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide 3-(2-Methylprop-2-enyl)-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide
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Formula C18H15NO5S
InChI InChI=1S/C18H15NO5S/c1-12(2)10-17-18(13-6-4-3-5-7-13)24-15-11-14(19(20)21)8-9-16(15)25(17,22)23/h3-9,11H,1,10H2,2H3
InChIKey RRAKJAABHAZGET-UHFFFAOYSA-N
Molecular Weight 357.380 g/mol
SMILES C=1(S(c2c(OC1c1ccccc1)cc(cc2)[N+]([O-])=O)(=O)=O)CC(=C)C
SPLASH splash10-0a4l-1609000000-8c9a97ae6bce544203e6
Source of Spectrum SK-26-3985-3e
Wiley ID 867444