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Benzyl 7-cyano-6-oxo-8-phenylpyrazolo[3,4-d]pyrimido[1,2-a]pyrimidine-1(6H)-carbodithioate
SpectraBase Compound ID IumsOCHsmTD
InChI InChI=1S/C23H14N6OS2/c24-11-18-19(16-9-5-2-6-10-16)26-22-27-20-17(13-28(22)21(18)30)12-25-29(20)23(31)32-14-15-7-3-1-4-8-15/h1-10,12-13H,14H2
InChIKey MKJMTVSZASVOOX-UHFFFAOYSA-N
Mol Weight 454.53 g/mol
Molecular Formula C23H14N6OS2
Exact Mass 454.067051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cpfQh49S4
Name Benzyl 7-cyano-6-oxo-8-phenylpyrazolo[3,4-d]pyrimido[1,2-a]pyrimidine-1(6H)-carbodithioate
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14N6OS2
InChI InChI=1S/C23H14N6OS2/c24-11-18-19(16-9-5-2-6-10-16)26-22-27-20-17(13-28(22)21(18)30)12-25-29(20)23(31)32-14-15-7-3-1-4-8-15/h1-10,12-13H,14H2
InChIKey MKJMTVSZASVOOX-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4237
Molecular Weight 454.526 g/mol
SMILES C(#N)C1=C(N=C2N(C=C3C(=N2)N(N=C3)C(=S)SCc2ccccc2)C1=O)c1ccccc1
SPLASH splash10-01vo-7940000000-ea35202581e96bc63058
Source of Spectrum Y-58-1078-12
Wiley ID 1879386