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3-[7-(3-keto-3-methoxy-propyl)-10-methyl-phenothiazin-2-yl]propionic acid methyl ester
SpectraBase Compound ID FrrXJPjtmQk
InChI InChI=1S/C21H23NO4S/c1-22-16-8-4-15(7-11-21(24)26-3)13-19(16)27-18-9-5-14(12-17(18)22)6-10-20(23)25-2/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3
InChIKey ARJFOQAUSAAZCK-UHFFFAOYSA-N
Mol Weight 385.48 g/mol
Molecular Formula C21H23NO4S
Exact Mass 385.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANPNIXnEybc
Name 3-[7-(3-keto-3-methoxy-propyl)-10-methyl-phenothiazin-2-yl]propionic acid methyl ester
Alternate Name(s) 3-[7-(3-methoxy-3-oxopropyl)-10-methyl-2-phenothiazinyl]propanoic acid methyl ester Methyl 3-[7-(3-methoxy-3-oxidanylidene-propyl)-10-methyl-phenothiazin-2-yl]propanoate Methyl 3-[7-(3-methoxy-3-oxo-propyl)-10-methyl-phenothiazin-2-yl]propanoate
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Formula C21H23NO4S
InChI InChI=1S/C21H23NO4S/c1-22-16-8-4-15(7-11-21(24)26-3)13-19(16)27-18-9-5-14(12-17(18)22)6-10-20(23)25-2/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3
InChIKey ARJFOQAUSAAZCK-UHFFFAOYSA-N
Molecular Weight 385.478 g/mol
SMILES c12N(c3c(Sc2ccc(c1)CCC(=O)OC)cc(cc3)CCC(=O)OC)C
SPLASH splash10-000i-0019000000-2ae3036519e7da415027
Source of Spectrum K1-2001-3275-33
Wiley ID 814181