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3-Methyl-2-((1Z,3Z)-3-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-(phenylthio)prop-1-en-1-yl)benzo[d]thiazol-3-ium iodide
SpectraBase Compound ID 3aCcnJJFWC0
InChI InChI=1S/C25H21N2S3.HI/c1-26-20-12-6-8-14-22(20)29-24(26)16-19(28-18-10-4-3-5-11-18)17-25-27(2)21-13-7-9-15-23(21)30-25;/h3-17H,1-2H3;1H/q+1;/p-1
InChIKey IUDPLBQRUHNMJH-UHFFFAOYSA-M
Mol Weight 572.54147 g/mol
Molecular Formula C25H21IN2S3
Exact Mass 571.991157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANVX2AJwPg2
Name 3-Methyl-2-((1Z,3Z)-3-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-(phenylthio)prop-1-en-1-yl)benzo[d]thiazol-3-ium iodide
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Formula C25H21IN2S3
InChI InChI=1S/C25H21N2S3.HI/c1-26-20-12-6-8-14-22(20)29-24(26)16-19(28-18-10-4-3-5-11-18)17-25-27(2)21-13-7-9-15-23(21)30-25;/h3-17H,1-2H3;1H/q+1;/p-1
InChIKey IUDPLBQRUHNMJH-UHFFFAOYSA-M
Molecular Weight 572.541 g/mol
SMILES c1(ccccc1)S\C(\C=C\1N(C)c2ccccc2S1)=C\c1sc2ccccc2[n+]1C.[I-]
SPLASH splash10-009f-2912000000-77dde8fda951e377f10c
Source of Spectrum JX-2015-4-1237
Wiley ID 1726629