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2,3-Dichloro-8,10-bis(ethoxycarbonyl)di[1,2,3]triazolo[1,5-a:5',1'-d][3,1,5]benzothiadiazepine
SpectraBase Compound ID JMBVTyVXoW2
InChI InChI=1S/C16H12Cl2N6O4S/c1-3-27-15(25)11-13-23(21-19-11)9-5-7(17)8(18)6-10(9)24-14(29-13)12(20-22-24)16(26)28-4-2/h5-6H,3-4H2,1-2H3
InChIKey MYKWJUUECMAMHP-UHFFFAOYSA-N
Mol Weight 455.28 g/mol
Molecular Formula C16H12Cl2N6O4S
Exact Mass 454.001779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8X3aoJRo7b1
Name 2,3-Dichloro-8,10-bis(ethoxycarbonyl)di[1,2,3]triazolo[1,5-a:5',1'-d][3,1,5]benzothiadiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12Cl2N6O4S
InChI InChI=1S/C16H12Cl2N6O4S/c1-3-27-15(25)11-13-23(21-19-11)9-5-7(17)8(18)6-10(9)24-14(29-13)12(20-22-24)16(26)28-4-2/h5-6H,3-4H2,1-2H3
InChIKey MYKWJUUECMAMHP-UHFFFAOYSA-N
Molecular Weight 455.276 g/mol
SMILES c12[n](-c3c(-[n]4c(S2)c(nn4)C(=O)OCC)cc(c(c3)Cl)Cl)nnc1C(=O)OCC
SPLASH splash10-0kai-0091000000-95b9d0c80df7bcb71a6b
Source of Spectrum K-2002-1579-6
Synonyms Diethyl 2,3-dichlorodi[1,2,3]triazolo[1,5-a:5,1-d][3,1,5]benzothiadiazepine-8,10-dicarboxylate
Wiley ID 1612804