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5-(4-Nitro-benzylsulfanyl)-1-phenyl-1H-tetrazole
SpectraBase Compound ID Ls59yPQVpVJ
InChI InChI=1S/C14H11N5O2S/c20-19(21)13-8-6-11(7-9-13)10-22-14-15-16-17-18(14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey XINSQOLXINNYJA-UHFFFAOYSA-N
Mol Weight 313.34 g/mol
Molecular Formula C14H11N5O2S
Exact Mass 313.063346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OZccUNrVgq
Name 5-(4-Nitro-benzylsulfanyl)-1-phenyl-1H-tetrazole
Alternate Name(s) 5-[(4-nitrobenzyl)thio]-1-phenyl-tetrazole 5-[(4-nitrophenyl)methylsulfanyl]-1-phenyl-1,2,3,4-tetrazole 5-[(4-nitrophenyl)methylsulfanyl]-1-phenyl-tetrazole 5-[(4-nitrophenyl)methylthio]-1-phenyltetrazole
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Formula C14H11N5O2S
InChI InChI=1S/C14H11N5O2S/c20-19(21)13-8-6-11(7-9-13)10-22-14-15-16-17-18(14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey XINSQOLXINNYJA-UHFFFAOYSA-N
Molecular Weight 313.335 g/mol
SMILES c1ccc(-[n]2c(nnn2)SCc2ccc(N(=O)=O)cc2)cc1
SPLASH splash10-00vr-8900000000-967d924724e9c6eac28f
Wiley ID 1465672