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(E,E')-3,3'-Trimethylene-bis{2'-[4"-(N,N-dimethylamino)styryl]benzothiazol-3'-ium}-dibromide
SpectraBase Compound ID GG4MjwD6mtc
InChI InChI=1S/C37H38N4S2.Br2/c1-38(2)30-20-14-28(15-21-30)18-24-36-40(32-10-5-7-12-34(32)42-36)26-9-27-41-33-11-6-8-13-35(33)43-37(41)25-19-29-16-22-31(23-17-29)39(3)4;1-2/h5-8,10-25H,9,26-27H2,1-4H3;/q+2;-2
InChIKey KNAHGPGHCDZYMX-UHFFFAOYSA-N
Mol Weight 762.7 g/mol
Molecular Formula C37H38Br2N4S2
Exact Mass 760.090466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCNEDYnyVQt
Name (E,E')-3,3'-Trimethylene-bis{2'-[4"-(N,N-dimethylamino)styryl]benzothiazol-3'-ium}-dibromide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H38Br2N4S2
InChI InChI=1S/C37H38N4S2.Br2/c1-38(2)30-20-14-28(15-21-30)18-24-36-40(32-10-5-7-12-34(32)42-36)26-9-27-41-33-11-6-8-13-35(33)43-37(41)25-19-29-16-22-31(23-17-29)39(3)4;1-2/h5-8,10-25H,9,26-27H2,1-4H3;/q+2;-2
InChIKey KNAHGPGHCDZYMX-UHFFFAOYSA-N
Molecular Weight 762.667 g/mol
SMILES [Br-][Br-].c1([n+](c2c(s1)cccc2)CCC[n+]1c(sc2c1cccc2)\C=C\c1ccc(cc1)N(C)C)\C=C\c1ccc(N(C)C)cc1
SPLASH splash10-0udi-0009000000-e6806ce1f368357dedb7
Source of Spectrum AH-139-572-10
Wiley ID 1695674