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1-(2'-Benzothiazolyl)ethenyl-1,4,7,10,13,16-hexaoxabenzo[3,4-b][18-crown-6]
SpectraBase Compound ID 3vEo3ZJ9iIt
InChI InChI=1S/C25H29NO6S/c1-2-4-24-21(3-1)26-25(33-24)8-6-20-5-7-22-23(19-20)32-18-16-30-14-12-28-10-9-27-11-13-29-15-17-31-22/h1-8,19H,9-18H2/b8-6+
InChIKey LNRPIWSPLCNAKI-SOFGYWHQSA-N
Mol Weight 471.57 g/mol
Molecular Formula C25H29NO6S
Exact Mass 471.171559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2JM3I6xsc5
Name 1-(2'-Benzothiazolyl)ethenyl-1,4,7,10,13,16-hexaoxabenzo[3,4-b][18-crown-6]
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Formula C25H29NO6S
InChI InChI=1S/C25H29NO6S/c1-2-4-24-21(3-1)26-25(33-24)8-6-20-5-7-22-23(19-20)32-18-16-30-14-12-28-10-9-27-11-13-29-15-17-31-22/h1-8,19H,9-18H2/b8-6+
InChIKey LNRPIWSPLCNAKI-SOFGYWHQSA-N
Molecular Weight 471.568 g/mol
SMILES c1(nc2c(s1)cccc2)\C=C\c1cc2OCCOCCOCCOCCOCCOc2cc1
SPLASH splash10-0292-0290200000-b4c8e7f7004431ed5732
Source of Spectrum CV-2003-373-3
Wiley ID 1610907