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7-Amino-1-benzylimino-3-oxopyrazolo[1,2-c]-1,3,4-thiadiazole-5,5,6-tricarbonitrile
SpectraBase Compound ID J9h7j9iTrvq
InChI InChI=1S/C15H9N7OS/c16-6-11-12(19)21-13(20-7-10-4-2-1-3-5-10)24-14(23)22(21)15(11,8-17)9-18/h1-5H,7,19H2
InChIKey VRBJVHCDZZSZJE-UHFFFAOYSA-N
Mol Weight 335.35 g/mol
Molecular Formula C15H9N7OS
Exact Mass 335.058929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID flJWXLtXuN
Name 7-Amino-1-benzylimino-3-oxopyrazolo[1,2-c]-1,3,4-thiadiazole-5,5,6-tricarbonitrile
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.058929111 u
Formula C15H9N7OS
InChI InChI=1S/C15H9N7OS/c16-6-11-12(19)21-13(20-7-10-4-2-1-3-5-10)24-14(23)22(21)15(11,8-17)9-18/h1-5H,7,19H2
InChIKey VRBJVHCDZZSZJE-UHFFFAOYSA-N
Instrument Name AMD 604
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.114
Molecular Weight 335.345 g/mol
Quality 203
SMILES NC=1N2C(SC(N2C(C1C#N)(C#N)C#N)=O)=NCC1=CC=CC=C1
SPLASH splash10-0006-9001000000-5dd97ee4d016dacf6035
Source of Spectrum ARK-2003-126-7b (DOI: 10.3998/ark.5550190.0004.114)
Wiley ID 1899672