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2-[{2'-[(2''-Thioxobornan-1''-yl)methyleneamino]ethylthio}methyl]-1-methylbenzo-(1,3)-imidazole
SpectraBase Compound ID 48xdQV2x0lO
InChI InChI=1S/C22H29N3S2/c1-21(2)16-9-10-22(21,3)20(26)15(16)13-23-11-12-27-14-19-24-17-7-5-6-8-18(17)25(19)4/h5-8,13,16,23H,9-12,14H2,1-4H3/b15-13-/t16-,22+/m0/s1
InChIKey JXHRSLZOBYXRHX-YEERJLNNSA-N
Mol Weight 399.62 g/mol
Molecular Formula C22H29N3S2
Exact Mass 399.18029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPogntuAWCF
Name 2-[{2'-[(2''-Thioxobornan-1''-yl)methyleneamino]ethylthio}methyl]-1-methylbenzo-(1,3)-imidazole
Alternate Name(s) 4-[2-(ferrocenyl)-2-hydroxyethyl]-4'-methyl-2,2'-bipyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29N3S2
InChI InChI=1S/C22H29N3S2/c1-21(2)16-9-10-22(21,3)20(26)15(16)13-23-11-12-27-14-19-24-17-7-5-6-8-18(17)25(19)4/h5-8,13,16,23H,9-12,14H2,1-4H3/b15-13-/t16-,22+/m0/s1
InChIKey JXHRSLZOBYXRHX-YEERJLNNSA-N
Molecular Weight 399.615 g/mol
SMILES N(\C=C/1C([C@@]2(C([C@]1(CC2)[H])(C)C)C)=S)CCSCc1nc2ccccc2[n]1C
SPLASH splash10-0f9t-0920100000-c2aa2d504bbb6da128d8
Source of Spectrum KA-0-2843-0
Wiley ID 1369008