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7-Amino-1-benzyliminopyrazolo[1,2-c]-1,3,4-thiadiazole-3,3,5,5,6-pentacarbonitrile
SpectraBase Compound ID IMKwKzZp6rb
InChI InChI=1S/C17H9N9S/c18-6-13-14(23)25-15(24-7-12-4-2-1-3-5-12)27-17(10-21,11-22)26(25)16(13,8-19)9-20/h1-5H,7,23H2
InChIKey HONYEQLHRXQYJJ-UHFFFAOYSA-N
Mol Weight 371.38 g/mol
Molecular Formula C17H9N9S
Exact Mass 371.070162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gcp0Ho2H7Yn
Name 7-Amino-1-benzyliminopyrazolo[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 371.070162500 u
Formula C17H9N9S
InChI InChI=1S/C17H9N9S/c18-6-13-14(23)25-15(24-7-12-4-2-1-3-5-12)27-17(10-21,11-22)26(25)16(13,8-19)9-20/h1-5H,7,23H2
InChIKey HONYEQLHRXQYJJ-UHFFFAOYSA-N
Instrument Name AMD 604
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.114
Molecular Weight 371.382 g/mol
Quality 172
SMILES NC1=C(C(N2N1C(SC2(C#N)C#N)=NCC1=CC=CC=C1)(C#N)C#N)C#N
SPLASH splash10-0aou-9064000000-2ba53a29fcb28a3fe4ba
Source of Spectrum ARK-2003-126-8b (DOI: 10.3998/ark.5550190.0004.114)
Wiley ID 1899675