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cis-7-(1-(4-bromophenyl)vinyl)-4-methyl-3-phenyl-5-tosyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine
SpectraBase Compound ID 5tGV58nHvXW
InChI InChI=1S/C27H25BrN4O2S/c1-18-9-15-24(16-10-18)35(33,34)31-17-25(19(2)21-11-13-23(28)14-12-21)32-27(20(31)3)26(29-30-32)22-7-5-4-6-8-22/h4-16,20,25H,2,17H2,1,3H3/t20-,25+/m1/s1
InChIKey NCGLZKLCUGAJFH-NLFFAJNJSA-N
Mol Weight 549.49 g/mol
Molecular Formula C27H25BrN4O2S
Exact Mass 548.08816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKzxCFjPyVv
Name cis-7-(1-(4-bromophenyl)vinyl)-4-methyl-3-phenyl-5-tosyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine
Appearance Solid
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Formula C27H25BrN4O2S
InChI InChI=1S/C27H25BrN4O2S/c1-18-9-15-24(16-10-18)35(33,34)31-17-25(19(2)21-11-13-23(28)14-12-21)32-27(20(31)3)26(29-30-32)22-7-5-4-6-8-22/h4-16,20,25H,2,17H2,1,3H3/t20-,25+/m1/s1
InChIKey NCGLZKLCUGAJFH-NLFFAJNJSA-N
Instrument Name HP 5989A
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201901284
Molecular Weight 549.487 g/mol
Reported Formula C27H25BrN4O2S
SMILES c1(S(N2[C@@](c3[n]([C@@](C2)(C(=C)c2ccc(cc2)Br)[H])nnc3-c2ccccc2)(C)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0a4i-9000000000-f3644ddde874671631bf
Source of Spectrum ASC-362-643-cis-5lf
Wiley ID 1838205