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3-{[(Chloroacetyl)(6-methyl-1,3-benzothiazol-2-yl)amino]methyl}phenyl chloroacetate
SpectraBase Compound ID KijTZUa0MXd
InChI InChI=1S/C19H16Cl2N2O3S/c1-12-5-6-15-16(7-12)27-19(22-15)23(17(24)9-20)11-13-3-2-4-14(8-13)26-18(25)10-21/h2-8H,9-11H2,1H3
InChIKey RMYDBIHNJRRPSJ-UHFFFAOYSA-N
Mol Weight 423.31 g/mol
Molecular Formula C19H16Cl2N2O3S
Exact Mass 422.025869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FFW2gEGTqK
Name 3-{[(Chloroacetyl)(6-methyl-1,3-benzothiazol-2-yl)amino]methyl}phenyl chloroacetate
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Formula C19H16Cl2N2O3S
InChI InChI=1S/C19H16Cl2N2O3S/c1-12-5-6-15-16(7-12)27-19(22-15)23(17(24)9-20)11-13-3-2-4-14(8-13)26-18(25)10-21/h2-8H,9-11H2,1H3
InChIKey RMYDBIHNJRRPSJ-UHFFFAOYSA-N
Instrument Name AGILENT 1100 MSD
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2012.02.008
Molecular Weight 423.314 g/mol
SMILES C(Cl)C(=O)N(c1sc2c(n1)ccc(c2)C)Cc1cc(ccc1)OC(CCl)=O
SPLASH splash10-0002-0009000000-ac48f9fb75a4830256d4
Source of Spectrum AJC-9-S1316-4a
Wiley ID 1857091