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4-[[4-[2-(2-chlorobenzyl)tetrazol-5-yl]phenoxy]methyl]benzoic acid methyl ester
SpectraBase Compound ID IGmF7q0vffH
InChI InChI=1S/C23H19ClN4O3/c1-30-23(29)18-8-6-16(7-9-18)15-31-20-12-10-17(11-13-20)22-25-27-28(26-22)14-19-4-2-3-5-21(19)24/h2-13H,14-15H2,1H3
InChIKey QTAXKPVYINIMNQ-UHFFFAOYSA-N
Mol Weight 434.88 g/mol
Molecular Formula C23H19ClN4O3
Exact Mass 434.114568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOP0XzVXIWI
Name 4-[[4-[2-(2-chlorobenzyl)tetrazol-5-yl]phenoxy]methyl]benzoic acid methyl ester
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Formula C23H19ClN4O3
InChI InChI=1S/C23H19ClN4O3/c1-30-23(29)18-8-6-16(7-9-18)15-31-20-12-10-17(11-13-20)22-25-27-28(26-22)14-19-4-2-3-5-21(19)24/h2-13H,14-15H2,1H3
InChIKey QTAXKPVYINIMNQ-UHFFFAOYSA-N
Molecular Weight 434.883 g/mol
SMILES c1c(ccc(c1)OCc1ccc(cc1)C(OC)=O)-c1nn[n](n1)Cc1c(cccc1)Cl
SPLASH splash10-00fs-1914100000-99952f1397a8d79f479d
Synonyms 4-[[4-[2-[(2-chlorophenyl)methyl]-5-tetrazolyl]phenoxy]methyl]benzoic acid methyl ester Methyl 4-({4-[2-(2-chlorobenzyl)-2H-tetraazol-5-yl]phenoxy}methyl)benzoate Methyl 4-[[4-[2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrazol-5-yl]phenoxy]methyl]benzoate Methyl 4-[[4-[2-[(2-chlorophenyl)methyl]tetrazol-5-yl]phenoxy]methyl]benzoate
Wiley ID 1445403