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3-(4-Chlorophenyl)-7-(1-phenylvinyl)-5-tosyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine
SpectraBase Compound ID HgSnbQb19Vt
InChI InChI=1S/C26H23ClN4O2S/c1-18-8-14-23(15-9-18)34(32,33)30-16-24(19(2)20-6-4-3-5-7-20)31-25(17-30)26(28-29-31)21-10-12-22(27)13-11-21/h3-15,24H,2,16-17H2,1H3
InChIKey XBTMYBDICSHILE-UHFFFAOYSA-N
Mol Weight 491.01 g/mol
Molecular Formula C26H23ClN4O2S
Exact Mass 490.123025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WdZJDkLzx9
Name 3-(4-Chlorophenyl)-7-(1-phenylvinyl)-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 C26H23ClN4O2S
InChI InChI=1S/C26H23ClN4O2S/c1-18-8-14-23(15-9-18)34(32,33)30-16-24(19(2)20-6-4-3-5-7-20)31-25(17-30)26(28-29-31)21-10-12-22(27)13-11-21/h3-15,24H,2,16-17H2,1H3
InChIKey XBTMYBDICSHILE-UHFFFAOYSA-N
Instrument Name HP 5989A
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201901284
Molecular Weight 491.009 g/mol
Reported Formula C26H23N4O2SCl
SMILES c1(S(N2Cc3[n](C(C2)C(=C)c2ccccc2)nnc3-c2ccc(cc2)Cl)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9000000000-175c2e0750705e1ef362
Source of Spectrum ASC-362-640-5ea
Wiley ID 1838201