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5-Phenyl-2-[[N-[(4-methylbenzyl)imino]-N'-[(4-methylbenzyl)amino]methanethio]methyl]thiazolo[2,3-b]-1,3,4-thiazolium tetrafluoroborate

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5-Phenyl-2-[[N-[(4-methylbenzyl)imino]-N'-[(4-methylbenzyl)amino]methanethio]methyl]thiazolo[2,3-b]-1,3,4-thiazolium tetrafluoroborate
SpectraBase Compound ID B61b3E0lWuz
InChI InChI=1S/C28H27N4S3.BF4/c1-20-9-13-22(14-10-20)17-29-26(33-3)31(18-23-15-11-21(2)12-16-23)27-30-32-25(19-34-28(32)35-27)24-7-5-4-6-8-24;2-1(3,4)5/h4-16,19H,17-18H2,1-3H3;/q+1;-1/b29-26-;
InChIKey ZHEUOZZGGPEBRC-DJUUNRNFSA-N
Mol Weight 602.54 g/mol
Molecular Formula C28H27BF4N4S3
Exact Mass 602.142703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gKT72UGt5G
Name 5-Phenyl-2-[[N-[(4-methylbenzyl)imino]-N'-[(4-methylbenzyl)amino]methanethio]methyl]thiazolo[2,3-b]-1,3,4-thiazolium tetrafluoroborate
Alternate Name(s) Methyl N-(4-methylbenzyl)-N'-[(Z)-(4-methylphenyl)methyl]-N-(5-phenyl[1,3]thiazolo[3,2-d][1,3,4]thiadiazol-4-ium-2-yl)imidothiocarbamate tetrafluoroborate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27BF4N4S3
InChI InChI=1S/C28H27N4S3.BF4/c1-20-9-13-22(14-10-20)17-29-26(33-3)31(18-23-15-11-21(2)12-16-23)27-30-32-25(19-34-28(32)35-27)24-7-5-4-6-8-24;2-1(3,4)5/h4-16,19H,17-18H2,1-3H3;/q+1;-1/b29-26-;
InChIKey ZHEUOZZGGPEBRC-DJUUNRNFSA-N
Molecular Weight 602.536 g/mol
SMILES [B-](F)(F)(F)F.c1(n[n+]2c(s1)scc2-c1ccccc1)N(\C(=N\Cc1ccc(C)cc1)SC)Cc1ccc(C)cc1
SPLASH splash10-0a4i-2900000000-f7bc66548c7195535a8d
Source of Spectrum F-48-1294-4
Wiley ID 1410269