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2,7-bis[4'-Hydroxybutyl]-N-methylphenothiazine
SpectraBase Compound ID 1dbNVV5KlYN
InChI InChI=1S/C21H27NO2S/c1-22-18-10-8-17(7-3-5-13-24)15-21(18)25-20-11-9-16(14-19(20)22)6-2-4-12-23/h8-11,14-15,23-24H,2-7,12-13H2,1H3
InChIKey SEZFBEXGRKOXCK-UHFFFAOYSA-N
Mol Weight 357.51 g/mol
Molecular Formula C21H27NO2S
Exact Mass 357.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZWJblo94bD
Name 2,7-bis[4'-Hydroxybutyl]-N-methylphenothiazine
Alternate Name(s) 4-[7-(4-hydroxybutyl)-10-methyl-10H-phenothiazin-2-yl]-1-butanol 4-[7-(4-hydroxybutyl)-10-methyl-2-phenothiazinyl]-1-butanol 4-[7-(4-hydroxybutyl)-10-methylphenothiazin-2-yl]butan-1-ol 4-[10-methyl-7-(4-oxidanylbutyl)phenothiazin-2-yl]butan-1-ol
Comments Less than 3 mono-isotopic peaks
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Formula C21H27NO2S
InChI InChI=1S/C21H27NO2S/c1-22-18-10-8-17(7-3-5-13-24)15-21(18)25-20-11-9-16(14-19(20)22)6-2-4-12-23/h8-11,14-15,23-24H,2-7,12-13H2,1H3
InChIKey SEZFBEXGRKOXCK-UHFFFAOYSA-N
Molecular Weight 357.512 g/mol
SMILES OCCCCc1ccc2c(N(c3ccc(CCCCO)cc3S2)C)c1
SPLASH splash10-0a4i-0019000000-ef8bc6096fcdae27a662
Source of Spectrum K1-2001-3276-37
Wiley ID 814177