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7-Amino-1-phenylimino-3-oxopyrazolo[1,2-c]-1,3,4-thiadiazole-5,5,6-tricarbonitrile
SpectraBase Compound ID IFnYBsAsPDo
InChI InChI=1S/C14H7N7OS/c15-6-10-11(18)20-12(19-9-4-2-1-3-5-9)23-13(22)21(20)14(10,7-16)8-17/h1-5H,18H2
InChIKey JETIIYCPNKDNRZ-UHFFFAOYSA-N
Mol Weight 321.32 g/mol
Molecular Formula C14H7N7OS
Exact Mass 321.043279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mMGk1ajtxT
Name 7-Amino-1-phenylimino-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 321.043279046 u
Formula C14H7N7OS
InChI InChI=1S/C14H7N7OS/c15-6-10-11(18)20-12(19-9-4-2-1-3-5-9)23-13(22)21(20)14(10,7-16)8-17/h1-5H,18H2
InChIKey JETIIYCPNKDNRZ-UHFFFAOYSA-N
Instrument Name AMD 604
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.114
Molecular Weight 321.318 g/mol
Quality 304
SMILES NC=1N2C(SC(N2C(C1C#N)(C#N)C#N)=O)=NC1=CC=CC=C1
SPLASH splash10-0ge9-4980000000-31d3daf21a46484d9215
Source of Spectrum ARK-2003-126-7a (DOI: 10.3998/ark.5550190.0004.114)
Wiley ID 1899671