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1H-Tetrazole-5-thiol, 1-[4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID h2Ss4Ig1br
InChI InChI=1S/C8H5F3N4S/c9-8(10,11)5-1-3-6(4-2-5)15-7(16)12-13-14-15/h1-4H,(H,12,14,16)
InChIKey TYTUOXFQCGJFIW-UHFFFAOYSA-N
Mol Weight 246.21 g/mol
Molecular Formula C8H5F3N4S
Exact Mass 246.018702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFEo4jqegvY
Name 1H-Tetrazole-5-thiol, 1-[4-(trifluoromethyl)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F3N4S
InChI InChI=1S/C8H5F3N4S/c9-8(10,11)5-1-3-6(4-2-5)15-7(16)12-13-14-15/h1-4H,(H,12,14,16)
InChIKey TYTUOXFQCGJFIW-UHFFFAOYSA-N
Molecular Weight 246.211 g/mol
SMILES Sc1[n](-c2ccc(C(F)(F)F)cc2)nnn1
SPLASH splash10-0f6t-5950000000-dbeb19cda9e9efc39acb
Source of Spectrum JX-2015-1-475
Synonyms 1-(4-(Trifluoromethyl)phenyl)-1H-tetrazole-5-thiol 1-[4-(Trifluoromethyl)phenyl]-1H-tetrazole-5-thiol 1-[4-(Trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole-5-thione
Wiley ID 1721298