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1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole
SpectraBase Compound ID C9NwJ8OSTaD
InChI InChI=1S/C16H15FN4S/c1-11-7-8-14(9-12(11)2)21-16(18-19-20-21)22-10-13-5-3-4-6-15(13)17/h3-9H,10H2,1-2H3
InChIKey ABTAJBGXZSOEKX-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 FIIcCPdGRFD
Name 1-(3,4-Dimethyl-phenyl)-5-(2-fluoro-benzylsulfanyl)-1H-tetrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15FN4S
InChI InChI=1S/C16H15FN4S/c1-11-7-8-14(9-12(11)2)21-16(18-19-20-21)22-10-13-5-3-4-6-15(13)17/h3-9H,10H2,1-2H3
InChIKey ABTAJBGXZSOEKX-UHFFFAOYSA-N
Molecular Weight 314.382 g/mol
SMILES c1ccc(CSc2[n](nnn2)-c2cc(C)c(cc2)C)c(F)c1
SPLASH splash10-0a4i-4910000000-a00dc311b5a21fce610f
Synonyms 1-(3,4-Dimethylphenyl)-1H-tetraazol-5-yl 2-fluorobenzyl sulfide 1-(3,4-dimethylphenyl)-5-[(2-fluorobenzyl)thio]tetrazole 1-(3,4-dimethylphenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,3,4-tetrazole 1-(3,4-dimethylphenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole 1-(3,4-dimethylphenyl)-5-[(2-fluorophenyl)methylthio]tetrazole
Wiley ID 1461109