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1-(mesitylsulfonyl)-4-(3'-methyl-1'-phenylthiobut-2'-enyl)indole
SpectraBase Compound ID 5zICbqv0tV8
InChI InChI=1S/C28H29NO2S2/c1-19(2)16-27(32-23-10-7-6-8-11-23)25-12-9-13-26-24(25)14-15-29(26)33(30,31)28-21(4)17-20(3)18-22(28)5/h6-18,27H,1-5H3
InChIKey FZOMRHSXTUTNTK-UHFFFAOYSA-N
Mol Weight 475.67 g/mol
Molecular Formula C28H29NO2S2
Exact Mass 475.163972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hoWrPtGQHi
Name 1-(mesitylsulfonyl)-4-(3'-methyl-1'-phenylthiobut-2'-enyl)indole
Alternate Name(s) 1-(mesitylsulfonyl)-4-[3-methyl-1-(phenylsulfanyl)-2-butenyl]-1H-indole 1-(metitylsulfonyl)-4-(3'-methyl-1'-phenylthiobut-2'-enyl)indole 1-[1-(mesitylsulfonyl)-1H-indol-4-yl]-3-methyl-2-butenyl phenyl sulfide
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Formula C28H29NO2S2
InChI InChI=1S/C28H29NO2S2/c1-19(2)16-27(32-23-10-7-6-8-11-23)25-12-9-13-26-24(25)14-15-29(26)33(30,31)28-21(4)17-20(3)18-22(28)5/h6-18,27H,1-5H3
InChIKey FZOMRHSXTUTNTK-UHFFFAOYSA-N
Molecular Weight 475.665 g/mol
SMILES c12[n](S(c3c(cc(cc3C)C)C)(=O)=O)ccc1c(C(C=C(C)C)Sc1ccccc1)ccc2
SPLASH splash10-056r-0911000000-aa9f05ed5a8bb125edcb
Source of Spectrum B-45-99-0
Wiley ID 1394132