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3-bromobenzyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetraazol-1-yl}benzoate
SpectraBase Compound ID Iemoy9ApZMW
InChI InChI=1S/C19H17BrN4O4S/c1-2-27-17(25)12-29-19-21-22-23-24(19)16-8-6-14(7-9-16)18(26)28-11-13-4-3-5-15(20)10-13/h3-10H,2,11-12H2,1H3
InChIKey IKWOPGQLOJKUET-UHFFFAOYSA-N
Mol Weight 477.33 g/mol
Molecular Formula C19H17BrN4O4S
Exact Mass 476.015389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aBG3cZGURV
Name (3-bromophenyl)methyl 4-[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate
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Formula C19H17BrN4O4S
InChI InChI=1S/C19H17BrN4O4S/c1-2-27-17(25)12-29-19-21-22-23-24(19)16-8-6-14(7-9-16)18(26)28-11-13-4-3-5-15(20)10-13/h3-10H,2,11-12H2,1H3
InChIKey IKWOPGQLOJKUET-UHFFFAOYSA-N
Molecular Weight 477.333 g/mol
SMILES CCOC(CSc1[n](nnn1)-c1ccc(C(OCc2cc(Br)ccc2)=O)cc1)=O
SPLASH splash10-02g5-7921200000-c4616f3565c4c6fe53b0
Synonyms (3-bromophenyl)methyl 4-[5-(2-ethoxy-2-oxo-ethyl)sulfanyltetrazol-1-yl]benzoate 4-[5-[(2-ethoxy-2-keto-ethyl)thio]tetrazol-1-yl]benzoic acid (3-bromobenzyl) ester 4-[5-[(2-ethoxy-2-oxoethyl)thio]-1-tetrazolyl]benzoic acid (3-bromophenyl)methyl ester
Wiley ID 1462112