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7-Amino-1-phenyliminopyrazolo[1,2-c]-1,3,4-thiadiazole-3,3,5,5,6-pentacarbonitrile
SpectraBase Compound ID qb9u0YtM8g
InChI InChI=1S/C16H7N9S/c17-6-12-13(22)24-14(23-11-4-2-1-3-5-11)26-16(9-20,10-21)25(24)15(12,7-18)8-19/h1-5H,22H2
InChIKey FAVWBEGVYAPZDQ-UHFFFAOYSA-N
Mol Weight 357.36 g/mol
Molecular Formula C16H7N9S
Exact Mass 357.054512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TceDE12i02
Name 7-Amino-1-phenyliminopyrazolo[1,2-c]-1,3,4-thiadiazole-3,3,5,5,6-pentacarbonitrile
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.054512435 u
Formula C16H7N9S
InChI InChI=1S/C16H7N9S/c17-6-12-13(22)24-14(23-11-4-2-1-3-5-11)26-16(9-20,10-21)25(24)15(12,7-18)8-19/h1-5H,22H2
InChIKey FAVWBEGVYAPZDQ-UHFFFAOYSA-N
Instrument Name AMD 604
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.114
Molecular Weight 357.355 g/mol
Quality 182
SMILES NC1=C(C(N2N1C(SC2(C#N)C#N)=NC1=CC=CC=C1)(C#N)C#N)C#N
SPLASH splash10-0006-5290000000-a1ca7d19b4dbf279ead0
Source of Spectrum ARK-2003-126-8a (DOI: 10.3998/ark.5550190.0004.114)
Wiley ID 1899674