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(E,E')-3,3'-Trimethylene-bis[2'-(4"-nitrostyryl)benzothiazol-3'-ium]-dibromide

View entire compound with spectra: 1 MS (GC)

(E,E')-3,3'-Trimethylene-bis[2'-(4"-nitrostyryl)benzothiazol-3'-ium]-dibromide
SpectraBase Compound ID HDxuF506tbe
InChI InChI=1S/C33H26N4O4S2.Br2/c38-36(39)26-16-10-24(11-17-26)14-20-32-34(28-6-1-3-8-30(28)42-32)22-5-23-35-29-7-2-4-9-31(29)43-33(35)21-15-25-12-18-27(19-13-25)37(40)41;1-2/h1-4,6-21H,5,22-23H2;/q+2;-2/b20-14+,21-15+;
InChIKey ZVVFCKMCVZQGOZ-JICTWDTMSA-N
Mol Weight 766.5 g/mol
Molecular Formula C33H26Br2N4O4S2
Exact Mass 763.976224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKF4mbFYuTC
Name (E,E')-3,3'-Trimethylene-bis[2'-(4"-nitrostyryl)benzothiazol-3'-ium]-dibromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H26Br2N4O4S2
InChI InChI=1S/C33H26N4O4S2.Br2/c38-36(39)26-16-10-24(11-17-26)14-20-32-34(28-6-1-3-8-30(28)42-32)22-5-23-35-29-7-2-4-9-31(29)43-33(35)21-15-25-12-18-27(19-13-25)37(40)41;1-2/h1-4,6-21H,5,22-23H2;/q+2;-2/b20-14+,21-15+;
InChIKey ZVVFCKMCVZQGOZ-JICTWDTMSA-N
Molecular Weight 766.523 g/mol
SMILES [Br-][Br-].c1([n+](c2c(s1)cccc2)CCC[n+]1c(sc2c1cccc2)\C=C\c1ccc(N(=O)=O)cc1)\C=C\c1ccc(N(=O)=O)cc1
SPLASH splash10-0a4i-0009000000-faf1be3133d71c496163
Source of Spectrum AH-139-572-7
Wiley ID 1695675