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5-(benzylthio)-1-(2,6-xylyl)-1H-tetrazole
SpectraBase Compound ID EKrqDQkVORa
InChI InChI=1S/C16H16N4S/c1-12-7-6-8-13(2)15(12)20-16(17-18-19-20)21-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3
InChIKey ULJUZTYUCWOJEN-UHFFFAOYSA-N
Mol Weight 296.39 g/mol
Molecular Formula C16H16N4S
Exact Mass 296.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hTmROD8uWO
Name 5-(Benzylsulfanyl)-1-(2,6-dimethylphenyl)-1H-tetraazole
CAS Registry Number 282719-15-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4S
InChI InChI=1S/C16H16N4S/c1-12-7-6-8-13(2)15(12)20-16(17-18-19-20)21-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3
InChIKey ULJUZTYUCWOJEN-UHFFFAOYSA-N
Molecular Weight 296.392 g/mol
SMILES c1ccc(CSc2[n](nnn2)-c2c(cccc2C)C)cc1
SPLASH splash10-0007-9400000000-3e2bd28bf8e7df5fff3f
Source of Spectrum AD-0-2532-0
Synonyms 1-(2,6-dimethylphenyl)-5-(phenylmethylsulfanyl)-1,2,3,4-tetrazole 1-(2,6-dimethylphenyl)-5-(phenylmethylthio)tetrazole 5-(Benzylthio)-1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazole 5-(benzylthio)-1-(2,6-dimethylphenyl)tetrazole 5-Benzylsulfanyl-1-(2,6-dimethylphenyl)tetrazole
Wiley ID 1433409