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2,7-bis(4-iodanylbutyl)-10-methyl-phenothiazine
SpectraBase Compound ID 2MbaZthIqjh
InChI InChI=1S/C21H25I2NS/c1-24-18-10-8-17(7-3-5-13-23)15-21(18)25-20-11-9-16(14-19(20)24)6-2-4-12-22/h8-11,14-15H,2-7,12-13H2,1H3
InChIKey DTGLRTGGYJCFOB-UHFFFAOYSA-N
Mol Weight 577.31 g/mol
Molecular Formula C21H25I2NS
Exact Mass 576.979711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FT9BooVVYRO
Name 2,7-bis(4-iodanylbutyl)-10-methyl-phenothiazine
Alternate Name(s) 2,7-bis(4-iodobutyl)-10-methyl-phenothiazine
Comments Less than 3 mono-isotopic peaks
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Formula C21H25I2NS
InChI InChI=1S/C21H25I2NS/c1-24-18-10-8-17(7-3-5-13-23)15-21(18)25-20-11-9-16(14-19(20)24)6-2-4-12-22/h8-11,14-15H,2-7,12-13H2,1H3
InChIKey DTGLRTGGYJCFOB-UHFFFAOYSA-N
Molecular Weight 577.307 g/mol
SMILES c12N(c3c(Sc2ccc(c1)CCCCI)cc(cc3)CCCCI)C
SPLASH splash10-004i-0200090000-564f87d849e649482326
Source of Spectrum K1-2001-3275-31
Wiley ID 814183