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4-Methoxybenzyl 4-{5-[(4-methoxybenzyl)sulfanyl]-1H-tetraazol-1-yl}benzoate
SpectraBase Compound ID KjhxsTPESjv
InChI InChI=1S/C24H22N4O4S/c1-30-21-11-3-17(4-12-21)15-32-23(29)19-7-9-20(10-8-19)28-24(25-26-27-28)33-16-18-5-13-22(31-2)14-6-18/h3-14H,15-16H2,1-2H3
InChIKey LHIZOCGDBQFYPM-UHFFFAOYSA-N
Mol Weight 462.52 g/mol
Molecular Formula C24H22N4O4S
Exact Mass 462.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qMmosNwkWN
Name 4-Methoxybenzyl 4-{5-[(4-methoxybenzyl)sulfanyl]-1H-tetraazol-1-yl}benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N4O4S
InChI InChI=1S/C24H22N4O4S/c1-30-21-11-3-17(4-12-21)15-32-23(29)19-7-9-20(10-8-19)28-24(25-26-27-28)33-16-18-5-13-22(31-2)14-6-18/h3-14H,15-16H2,1-2H3
InChIKey LHIZOCGDBQFYPM-UHFFFAOYSA-N
Molecular Weight 462.524 g/mol
SMILES COc1ccc(COC(c2ccc(-[n]3c(nnn3)SCc3ccc(cc3)OC)cc2)=O)cc1
SPLASH splash10-00dl-6900000000-1586fdf2c252d75917f7
Synonyms 4-[5-(4-methoxy-benzylsulfanyl)-tetrazol-1-yl]-benzoic acid 4-methoxy-benzyl ester 4-[5-[(4-methoxyphenyl)methylthio]-1-tetrazolyl]benzoic acid (4-methoxyphenyl)methyl ester (4-methoxyphenyl)methyl 4-[5-[(4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]benzoate (4-methoxyphenyl)methyl 4-[5-[(4-methoxyphenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate
Wiley ID 1436861