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3-[N-Ethyl-2'-chlorophenothiazin-3'-yl]-2,2,5,5-tetramethylpyrroline - N-oxide
SpectraBase Compound ID CWRSZCbUhKY
InChI InChI=1S/C22H25ClN2OS/c1-6-24-17-9-7-8-10-19(17)27-20-11-14(16(23)12-18(20)24)15-13-21(2,3)25(26)22(15,4)5/h7-13,25H,6H2,1-5H3
InChIKey KTNYDPJXSODXTF-UHFFFAOYSA-N
Mol Weight 400.97 g/mol
Molecular Formula C22H25ClN2OS
Exact Mass 400.137612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5udw8U63per
Name 3-[N-Ethyl-2'-chlorophenothiazin-3'-yl]-2,2,5,5-tetramethylpyrroline - N-oxide
Comments Note: The molecular formula of the structure shown is C22H25ClN2OS - which differs from the formula reported for the mass spectrum (C21H21ClN2OS)
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Formula C21H21ClN2OS
InChI InChI=1S/C22H25ClN2OS/c1-6-24-17-9-7-8-10-19(17)27-20-11-14(16(23)12-18(20)24)15-13-21(2,3)25(26)22(15,4)5/h7-13,25H,6H2,1-5H3
InChIKey KTNYDPJXSODXTF-UHFFFAOYSA-N
Molecular Weight 400.968 g/mol
SMILES [NH+]1(C(C=C(C1(C)C)c1c(cc2N(c3ccccc3Sc2c1)CC)Cl)(C)C)[O-]
SPLASH splash10-001i-0091000000-7ab9da0fb3d59916833f
Source of Spectrum SK-23-2934-2
Wiley ID 865701