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3,3'-Bis((1H-tetrazol-5-yl)thio)-1,1'-dibutyl-1H,1'H-2,2'-biindole
SpectraBase Compound ID 3G5P5OXJMRV
InChI InChI=1S/C26H28N10S2/c1-3-5-15-35-19-13-9-7-11-17(19)23(37-25-27-31-32-28-25)21(35)22-24(38-26-29-33-34-30-26)18-12-8-10-14-20(18)36(22)16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H,27,28,31,32)(H,29,30,33,34)
InChIKey NSMPINFGUOXLOH-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C26H28N10S2
Exact Mass 544.193983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9hNDuI5xqc
Name 3,3'-Bis((1H-tetrazol-5-yl)thio)-1,1'-dibutyl-1H,1'H-2,2'-biindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N10S2
InChI InChI=1S/C26H28N10S2/c1-3-5-15-35-19-13-9-7-11-17(19)23(37-25-27-31-32-28-25)21(35)22-24(38-26-29-33-34-30-26)18-12-8-10-14-20(18)36(22)16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H,27,28,31,32)(H,29,30,33,34)
InChIKey NSMPINFGUOXLOH-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ra05625f
Molecular Weight 544.700 g/mol
SMILES [nH]1c(Sc2c(-c3c(Sc4nnn[nH]4)c4c([n]3CCCC)cccc4)[n](c3c2cccc3)CCCC)nnn1
SPLASH splash10-0a4j-2009700000-77df2598108cce138a94
Source of Spectrum RSA-4-34528-9d
Wiley ID 1749698