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7-(1-(4-Chlorophenyl)vinyl)-3-(thiophen-3-yl)-5-tosyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine
SpectraBase Compound ID 3ck5j24vspd
InChI InChI=1S/C24H21ClN4O2S2/c1-16-3-9-21(10-4-16)33(30,31)28-13-22(17(2)18-5-7-20(25)8-6-18)29-23(14-28)24(26-27-29)19-11-12-32-15-19/h3-12,15,22H,2,13-14H2,1H3
InChIKey AYJYRECLHZHDDD-UHFFFAOYSA-N
Mol Weight 497.03 g/mol
Molecular Formula C24H21ClN4O2S2
Exact Mass 496.079446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALtIdExoFDL
Name 7-(1-(4-Chlorophenyl)vinyl)-3-(thiophen-3-yl)-5-tosyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine
Appearance Solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21ClN4O2S2
InChI InChI=1S/C24H21ClN4O2S2/c1-16-3-9-21(10-4-16)33(30,31)28-13-22(17(2)18-5-7-20(25)8-6-18)29-23(14-28)24(26-27-29)19-11-12-32-15-19/h3-12,15,22H,2,13-14H2,1H3
InChIKey AYJYRECLHZHDDD-UHFFFAOYSA-N
Instrument Name HP 5989A
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201901284
Molecular Weight 497.031 g/mol
SMILES c1(S(N2Cc3[n](C(C2)C(=C)c2ccc(cc2)Cl)nnc3-c2ccsc2)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9000000000-ed4046b040337db620d8
Source of Spectrum ASC-362-640-5fg
Wiley ID 1838202