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(E)-7-(1-(4-bromophenyl)pent-1-en-1-yl)-3-phenyl-5-tosyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine
SpectraBase Compound ID 8mnI98dfnok
InChI InChI=1S/C29H29BrN4O2S/c1-3-4-10-26(22-13-15-24(30)16-14-22)27-19-33(37(35,36)25-17-11-21(2)12-18-25)20-28-29(31-32-34(27)28)23-8-6-5-7-9-23/h5-18,27H,3-4,19-20H2,1-2H3/b26-10+
InChIKey MRZCLDCKDFRBCB-NSKAYECMSA-N
Mol Weight 577.54 g/mol
Molecular Formula C29H29BrN4O2S
Exact Mass 576.11946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ByYNqUVJ42
Name (E)-7-(1-(4-bromophenyl)pent-1-en-1-yl)-3-phenyl-5-tosyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine
Appearance Solid
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Formula C29H29BrN4O2S
InChI InChI=1S/C29H29BrN4O2S/c1-3-4-10-26(22-13-15-24(30)16-14-22)27-19-33(37(35,36)25-17-11-21(2)12-18-25)20-28-29(31-32-34(27)28)23-8-6-5-7-9-23/h5-18,27H,3-4,19-20H2,1-2H3/b26-10+
InChIKey MRZCLDCKDFRBCB-NSKAYECMSA-N
Instrument Name HP 5989A
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201901284
Molecular Weight 577.541 g/mol
Reported Formula C29H29N4O2SBr
SMILES c1(S(N2Cc3[n](C(C2)\C(=C\CCC)c2ccc(cc2)Br)nnc3-c2ccccc2)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9000000000-175c2e0750705e1ef362
Source of Spectrum ASC-362-643-E-5kf
Wiley ID 1838206