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7-Amino-1-(2-propenyl)iminopyrazolo[1,2-c]-1,3,4-thiadiazole-3,3,5,5,6-pentacarbonitrile
SpectraBase Compound ID HtiimMYP2iL
InChI InChI=1S/C13H7N9S/c1-2-3-20-11-21-10(19)9(4-14)12(5-15,6-16)22(21)13(7-17,8-18)23-11/h2H,1,3,19H2
InChIKey PUFLPXDBDVTTSE-UHFFFAOYSA-N
Mol Weight 321.32 g/mol
Molecular Formula C13H7N9S
Exact Mass 321.054512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUVJhsqUgC3
Name 7-Amino-1-(2-propenyl)iminopyrazolo[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 321.054512435 u
Formula C13H7N9S
InChI InChI=1S/C13H7N9S/c1-2-3-20-11-21-10(19)9(4-14)12(5-15,6-16)22(21)13(7-17,8-18)23-11/h2H,1,3,19H2
InChIKey PUFLPXDBDVTTSE-UHFFFAOYSA-N
Instrument Name AMD 604
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.114
Molecular Weight 321.322 g/mol
Quality 241
SMILES NC=1N2C(SC(N2C(C1C#N)(C#N)C#N)(C#N)C#N)=NCC=C
SPLASH splash10-05mo-9160000000-b1f5e13ed822594ed168
Source of Spectrum ARK-2003-127-8c (DOI: 10.3998/ark.5550190.0004.114)
Wiley ID 1899676