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6-Chloro-7-[chloro(p-toluenesulfonyl)methyl]-10-nitro-1,2,4-triazolo[3,4-a]phthalazine

View entire compound with spectra: 1 MS (GC)

6-Chloro-7-[chloro(p-toluenesulfonyl)methyl]-10-nitro-1,2,4-triazolo[3,4-a]phthalazine
SpectraBase Compound ID DXasSdAXh6v
InChI InChI=1S/C17H11Cl2N5O4S/c1-9-2-4-10(5-3-9)29(27,28)16(19)11-6-7-12(24(25)26)14-13(11)15(18)22-23-8-20-21-17(14)23/h2-8,16H,1H3
InChIKey LPMRMJJKNKVVHB-UHFFFAOYSA-N
Mol Weight 452.27 g/mol
Molecular Formula C17H11Cl2N5O4S
Exact Mass 450.99088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86zboheA505
Name 6-Chloro-7-[chloro(p-toluenesulfonyl)methyl]-10-nitro-1,2,4-triazolo[3,4-a]phthalazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11Cl2N5O4S
InChI InChI=1S/C17H11Cl2N5O4S/c1-9-2-4-10(5-3-9)29(27,28)16(19)11-6-7-12(24(25)26)14-13(11)15(18)22-23-8-20-21-17(14)23/h2-8,16H,1H3
InChIKey LPMRMJJKNKVVHB-UHFFFAOYSA-N
Molecular Weight 452.272 g/mol
SMILES c12-c3[n](cnn3)N=C(c1c(C(S(c1ccc(cc1)C)(=O)=O)Cl)ccc2N(=O)=O)Cl
SPLASH splash10-0006-9040000000-911bb2850bfc0f429862
Source of Spectrum Y-51-1588-20
Synonyms 6-Chloro-7-(chloro(tosyl)methyl)-10-nitro-[1,2,4]triazolo[3,4-a]phthalazine
Wiley ID 1741665