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(rac)-1-Phenyl-5-(4-phenylbutan-2-ylthio)-1H-tetrazole
SpectraBase Compound ID GC2kcb5vM0I
InChI InChI=1S/C17H18N4S/c1-14(12-13-15-8-4-2-5-9-15)22-17-18-19-20-21(17)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKey WPXHMJMINAEVMJ-UHFFFAOYSA-N
Mol Weight 310.42 g/mol
Molecular Formula C17H18N4S
Exact Mass 310.125218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0bi9geVMic
Name (rac)-1-Phenyl-5-(4-phenylbutan-2-ylthio)-1H-tetrazole
Alternate Name(s) 1-Phenyl-5-((4-phenylbutan-2-yl)thio)-1H-tetrazole 1-Phenyl-5-(4-phenylbutan-2-ylthio)tetrazole 1-Phenyl-5-(4-phenylbutan-2-ylsulfanyl)tetrazole 5-(1-Methyl-3-phenyl-propyl)sulfanyl-1-phenyl-tetrazole 1-Phenyl-5-(4-phenylbutan-2-ylsulfanyl)-1,2,3,4-tetrazole
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Formula C17H18N4S
InChI InChI=1S/C17H18N4S/c1-14(12-13-15-8-4-2-5-9-15)22-17-18-19-20-21(17)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKey WPXHMJMINAEVMJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo402246h
Molecular Weight 310.419 g/mol
SMILES c1cc(CCC(C)Sc2[n](nnn2)-c2ccccc2)ccc1
SPLASH splash10-015d-9861000000-98709a49363ea8c8aceb
Source of Spectrum J-78-12609-3i
Wiley ID 1747389