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Benzoic acid, 4-[[5-(4-pyridinyl)-2H-1,2,3,4-tetrazol-2-yl]methyl]-, methyl ester
SpectraBase Compound ID CDOyjqS7rDt
InChI InChI=1S/C15H13N5O2/c1-22-15(21)13-4-2-11(3-5-13)10-20-18-14(17-19-20)12-6-8-16-9-7-12/h2-9H,10H2,1H3
InChIKey JDLHDSWIWXQHHX-UHFFFAOYSA-N
Mol Weight 295.3 g/mol
Molecular Formula C15H13N5O2
Exact Mass 295.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFIR5AG4e
Name Benzoic acid, 4-[[5-(4-pyridinyl)-2H-1,2,3,4-tetrazol-2-yl]methyl]-, methyl ester
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Formula C15H13N5O2
InChI InChI=1S/C15H13N5O2/c1-22-15(21)13-4-2-11(3-5-13)10-20-18-14(17-19-20)12-6-8-16-9-7-12/h2-9H,10H2,1H3
InChIKey JDLHDSWIWXQHHX-UHFFFAOYSA-N
Molecular Weight 295.302 g/mol
SMILES COC(c1ccc(C[n]2nnc(-c3ccncc3)n2)cc1)=O
SPLASH splash10-000j-3970000000-4e68d78c32ac76e7dec7
Source of Spectrum IY-2-5184-9
Synonyms Methyl 4-{[5-(pyridin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]methyl}benzoate 4-[(5-pyridin-4-yl-2-tetrazolyl)methyl]benzoic acid methyl ester Methyl 4-[(5-pyridin-4-yltetrazol-2-yl)methyl]benzoate Methyl 4-[[5-(4-pyridyl)tetrazol-2-yl]methyl]benzoate Methyl 4-[(5-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)methyl]benzoate
Wiley ID 1659832