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3,3'-Bis((1H-tetrazol-5-yl)thio)-1,1'-dimethyl-1H,1'H-2,2'-biindole
SpectraBase Compound ID 4Yae4ap8i5O
InChI InChI=1S/C20H16N10S2/c1-29-13-9-5-3-7-11(13)17(31-19-21-25-26-22-19)15(29)16-18(32-20-23-27-28-24-20)12-8-4-6-10-14(12)30(16)2/h3-10H,1-2H3,(H,21,22,25,26)(H,23,24,27,28)
InChIKey ZWZTZOWYHDWFNP-UHFFFAOYSA-N
Mol Weight 460.54 g/mol
Molecular Formula C20H16N10S2
Exact Mass 460.100083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSrqPXUYVoV
Name 3,3'-Bis((1H-tetrazol-5-yl)thio)-1,1'-dimethyl-1H,1'H-2,2'-biindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N10S2
InChI InChI=1S/C20H16N10S2/c1-29-13-9-5-3-7-11(13)17(31-19-21-25-26-22-19)15(29)16-18(32-20-23-27-28-24-20)12-8-4-6-10-14(12)30(16)2/h3-10H,1-2H3,(H,21,22,25,26)(H,23,24,27,28)
InChIKey ZWZTZOWYHDWFNP-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ra05625f
Molecular Weight 460.538 g/mol
SMILES [nH]1c(Sc2c3c([n](c2-c2c(Sc4nnn[nH]4)c4c([n]2C)cccc4)C)cccc3)nnn1
SPLASH splash10-0006-9057000000-8c719a818bd8d0a523c7
Source of Spectrum RSA-4-34527-9a
Wiley ID 1749697