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3,9-Bis(10'-methyl-phenothiazine-3'-yl)-2,4,8,10-tetraoxaspiro[5,5]undecane
SpectraBase Compound ID B2g9nUMc0ax
InChI InChI=1S/C33H30N2O4S2/c1-34-23-7-3-5-9-27(23)40-29-15-21(11-13-25(29)34)31-36-17-33(18-37-31)19-38-32(39-20-33)22-12-14-26-30(16-22)41-28-10-6-4-8-24(28)35(26)2/h3-16,31-32H,17-20H2,1-2H3
InChIKey OJNRDQXCZCICRP-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C33H30N2O4S2
Exact Mass 582.1647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RFCMpBYXAu
Name 3,9-Bis(10'-methyl-phenothiazine-3'-yl)-2,4,8,10-tetraoxaspiro[5,5]undecane
Comments Less than 3 mono-isotopic peaks
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Formula C33H30N2O4S2
InChI InChI=1S/C33H30N2O4S2/c1-34-23-7-3-5-9-27(23)40-29-15-21(11-13-25(29)34)31-36-17-33(18-37-31)19-38-32(39-20-33)22-12-14-26-30(16-22)41-28-10-6-4-8-24(28)35(26)2/h3-16,31-32H,17-20H2,1-2H3
InChIKey OJNRDQXCZCICRP-UHFFFAOYSA-N
Molecular Weight 582.733 g/mol
SMILES c12N(c3c(Sc2cc(C2OCC4(CO2)COC(c2cc5Sc6c(cccc6)N(c5cc2)C)OC4)cc1)cccc3)C
SPLASH splash10-001i-0000090000-4bbc82292d63c992580f
Source of Spectrum F-68-2470-3
Wiley ID 1708656