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1-(2,3-dimethylphenyl)-5-[(2-fluorobenzyl)thio]tetrazole
SpectraBase Compound ID 8yOudwZUUHS
InChI InChI=1S/C16H15FN4S/c1-11-6-5-9-15(12(11)2)21-16(18-19-20-21)22-10-13-7-3-4-8-14(13)17/h3-9H,10H2,1-2H3
InChIKey XXCCTUZSMUJXPS-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C16H15FN4S
Exact Mass 314.100146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZp8bqKnyiZ
Name 1-(2,3-dimethylphenyl)-5-[(2-fluorobenzyl)thio]tetrazole
Alternate Name(s) 1-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,3,4-tetrazole 1-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole 1-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylthio]tetrazole
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Formula C16H15FN4S
InChI InChI=1S/C16H15FN4S/c1-11-6-5-9-15(12(11)2)21-16(18-19-20-21)22-10-13-7-3-4-8-14(13)17/h3-9H,10H2,1-2H3
InChIKey XXCCTUZSMUJXPS-UHFFFAOYSA-N
Molecular Weight 314.382 g/mol
SMILES c1(c(cccc1)F)CSc1[n](-c2cccc(c2C)C)nnn1
SPLASH splash10-0a4l-3910000000-b524d9b32baeb5d1a599
Wiley ID 1511699