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Benzoic acid, 4-[4-(1H-tetrazol-5-yl)phenoxymethyl]-, methyl ester
SpectraBase Compound ID Lp5RRG3BZTu
InChI InChI=1S/C16H14N4O3/c1-22-16(21)13-4-2-11(3-5-13)10-23-14-8-6-12(7-9-14)15-17-19-20-18-15/h2-9H,10H2,1H3,(H,17,18,19,20)
InChIKey QXQXLEOJBFRZKE-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C16H14N4O3
Exact Mass 310.10659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Darn9sEJih
Name Benzoic acid, 4-[4-(1H-tetrazol-5-yl)phenoxymethyl]-, methyl ester
Alternate Name(s) 4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]benzoic acid methyl ester Methyl 4-[[4-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]methyl]benzoate Methyl 4-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]benzoate
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Formula C16H14N4O3
InChI InChI=1S/C16H14N4O3/c1-22-16(21)13-4-2-11(3-5-13)10-23-14-8-6-12(7-9-14)15-17-19-20-18-15/h2-9H,10H2,1H3,(H,17,18,19,20)
InChIKey QXQXLEOJBFRZKE-UHFFFAOYSA-N
Molecular Weight 310.313 g/mol
SMILES [nH]1nnnc1-c1ccc(OCc2ccc(cc2)C(OC)=O)cc1
SPLASH splash10-0002-6910000000-07ba0091cc8df8bb4131
Wiley ID 1446450