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2-Chloro-8,10-bis(ethoxycarbonyl)di[1,2,3]triazolo[1,5-a:5',1'-d][3,1,5]benzothiadiazepine
SpectraBase Compound ID 1GAfZXrA4cL
InChI InChI=1S/C16H13ClN6O4S/c1-3-26-15(24)11-13-22(20-18-11)9-6-5-8(17)7-10(9)23-14(28-13)12(19-21-23)16(25)27-4-2/h5-7H,3-4H2,1-2H3
InChIKey MEXHOEXDYJTCBM-UHFFFAOYSA-N
Mol Weight 420.83 g/mol
Molecular Formula C16H13ClN6O4S
Exact Mass 420.040752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDtr9HKcH3I
Name 2-Chloro-8,10-bis(ethoxycarbonyl)di[1,2,3]triazolo[1,5-a:5',1'-d][3,1,5]benzothiadiazepine
Alternate Name(s) Diethyl 2-chlorodi[1,2,3]triazolo[1,5-a:5,1-d][3,1,5]benzothiadiazepine-8,10-dicarboxylate
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Formula C16H13ClN6O4S
InChI InChI=1S/C16H13ClN6O4S/c1-3-26-15(24)11-13-22(20-18-11)9-6-5-8(17)7-10(9)23-14(28-13)12(19-21-23)16(25)27-4-2/h5-7H,3-4H2,1-2H3
InChIKey MEXHOEXDYJTCBM-UHFFFAOYSA-N
Molecular Weight 420.831 g/mol
SMILES c12[n](-c3c(-[n]4c(S2)c(nn4)C(=O)OCC)cc(cc3)Cl)nnc1C(=O)OCC
SPLASH splash10-00di-0190000000-46e37c899e00447e19cd
Source of Spectrum K-2002-1579-6
Wiley ID 1612805