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N-(5-adamantan-1-yl-2-bromo-phenyl)-2-[1-(2,6-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
SpectraBase Compound ID GDPkGJOGIDf
InChI InChI=1S/C27H30BrN5OS/c1-16-4-3-5-17(2)25(16)33-26(30-31-32-33)35-15-24(34)29-23-11-21(6-7-22(23)28)27-12-18-8-19(13-27)10-20(9-18)14-27/h3-7,11,18-20H,8-10,12-15H2,1-2H3,(H,29,34)
InChIKey RZVSQYZENWXIGV-UHFFFAOYSA-N
Mol Weight 552.54 g/mol
Molecular Formula C27H30BrN5OS
Exact Mass 551.135445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OqNmjpD3Q
Name N-(5-adamantan-1-yl-2-bromo-phenyl)-2-[1-(2,6-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
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Formula C27H30BrN5OS
InChI InChI=1S/C27H30BrN5OS/c1-16-4-3-5-17(2)25(16)33-26(30-31-32-33)35-15-24(34)29-23-11-21(6-7-22(23)28)27-12-18-8-19(13-27)10-20(9-18)14-27/h3-7,11,18-20H,8-10,12-15H2,1-2H3,(H,29,34)
InChIKey RZVSQYZENWXIGV-UHFFFAOYSA-N
Molecular Weight 552.535 g/mol
SMILES N(c1cc(C23CC4CC(C3)CC(C2)C4)ccc1Br)C(CSc1[n](nnn1)-c1c(cccc1C)C)=O
SPLASH splash10-0002-5921000000-ad306599de5b33e10f85
Synonyms N-[5-(1-adamantyl)-2-bromophenyl]-2-{[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]sulfanyl}acetamide N-[5-(1-adamantyl)-2-bromophenyl]-2-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]acetamide N-[5-(1-adamantyl)-2-bromophenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide N-[5-(1-adamantyl)-2-bromo-phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide N-[5-(1-adamantyl)-2-bromanyl-phenyl]-2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide
Wiley ID 1445504