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3-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2H-1,4-benzothiazin-2-yl]-2H-1,4-benzothiazine
SpectraBase Compound ID 5VDxfo3av4G
InChI InChI=1S/C28H18Cl2N2S2/c29-19-13-9-17(10-14-19)25-27(33-23-7-3-1-5-21(23)31-25)28-26(18-11-15-20(30)16-12-18)32-22-6-2-4-8-24(22)34-28/h1-16,27-28H
InChIKey GIFNYVGNAFNVBN-UHFFFAOYSA-N
Mol Weight 517.49 g/mol
Molecular Formula C28H18Cl2N2S2
Exact Mass 516.028846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9kpamn6SRj
Name 3-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2H-1,4-benzothiazin-2-yl]-2H-1,4-benzothiazine
Comments Less than 3 mono-isotopic peaks
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Formula C28H18Cl2N2S2
InChI InChI=1S/C28H18Cl2N2S2/c29-19-13-9-17(10-14-19)25-27(33-23-7-3-1-5-21(23)31-25)28-26(18-11-15-20(30)16-12-18)32-22-6-2-4-8-24(22)34-28/h1-16,27-28H
InChIKey GIFNYVGNAFNVBN-UHFFFAOYSA-N
Molecular Weight 517.492 g/mol
SMILES C1(C2C(=Nc3c(S2)cccc3)c2ccc(cc2)Cl)C(=Nc2c(S1)cccc2)c1ccc(cc1)Cl
SPLASH splash10-03di-0090000000-5e9144d1488d3ca54897
Source of Spectrum SK-21-1717-3
Wiley ID 851787