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2-{[(Chloroacetyl)(4-methyl-1,3-benzothiazol-2-yl)amino]methyl}phenyl chloroacetate
SpectraBase Compound ID iSQBv6GwNt
InChI InChI=1S/C19H16Cl2N2O3S/c1-12-5-4-8-15-18(12)22-19(27-15)23(16(24)9-20)11-13-6-2-3-7-14(13)26-17(25)10-21/h2-8H,9-11H2,1H3
InChIKey JZGROQWLVUKVRG-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 HxrEi1jKXa4
Name 2-{[(Chloroacetyl)(4-methyl-1,3-benzothiazol-2-yl)amino]methyl}phenyl chloroacetate
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Formula C19H16Cl2N2O3S
InChI InChI=1S/C19H16Cl2N2O3S/c1-12-5-4-8-15-18(12)22-19(27-15)23(16(24)9-20)11-13-6-2-3-7-14(13)26-17(25)10-21/h2-8H,9-11H2,1H3
InChIKey JZGROQWLVUKVRG-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)c(ccc2)C)Cc1c(cccc1)OC(CCl)=O
SPLASH splash10-0006-0090000000-fa9825a9acade674e06b
Source of Spectrum AJC-9-S1316-4b
Wiley ID 1857092