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2,7-bis[3'-(Methoxycarbonyl)propyl]-N-methylphenothiazine
SpectraBase Compound ID 2tS4Zjxn8kZ
InChI InChI=1S/C23H27NO4S/c1-24-18-12-10-17(7-5-9-23(26)28-3)15-21(18)29-20-13-11-16(14-19(20)24)6-4-8-22(25)27-2/h10-15H,4-9H2,1-3H3
InChIKey PJKKUWOHCDWAOR-UHFFFAOYSA-N
Mol Weight 413.53 g/mol
Molecular Formula C23H27NO4S
Exact Mass 413.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cn5B9retdRG
Name 2,7-bis[3'-(Methoxycarbonyl)propyl]-N-methylphenothiazine
Alternate Name(s) methyl 4-[7-(4-methoxy-4-oxobutyl)-10-methyl-10H-phenothiazin-2-yl]butanoate 4-[7-(4-methoxy-4-oxobutyl)-10-methyl-2-phenothiazinyl]butanoic acid methyl ester methyl 4-[7-(4-methoxy-4-oxobutyl)-10-methylphenothiazin-2-yl]butanoate methyl 4-[7-(4-methoxy-4-oxo-butyl)-10-methyl-phenothiazin-2-yl]butanoate methyl 4-[7-(4-methoxy-4-oxidanylidene-butyl)-10-methyl-phenothiazin-2-yl]butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H27NO4S
InChI InChI=1S/C23H27NO4S/c1-24-18-12-10-17(7-5-9-23(26)28-3)15-21(18)29-20-13-11-16(14-19(20)24)6-4-8-22(25)27-2/h10-15H,4-9H2,1-3H3
InChIKey PJKKUWOHCDWAOR-UHFFFAOYSA-N
Molecular Weight 413.532 g/mol
SMILES c12N(c3c(Sc2ccc(c1)CCCC(=O)OC)cc(cc3)CCCC(=O)OC)C
SPLASH splash10-03di-0000900000-bc50328aca6161718950
Source of Spectrum K1-2001-3276-34
Wiley ID 814180