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1H-2-benzopyran-1,3(4H)-dione, 4-[2-(3-ethyl-5-phenyl-2(3H)-benzothiazolylidene)ethylidene]-
SpectraBase Compound ID 7HWT4Us6twC
InChI InChI=1S/C26H19NO3S/c1-2-27-22-16-18(17-8-4-3-5-9-17)12-14-23(22)31-24(27)15-13-21-19-10-6-7-11-20(19)25(28)30-26(21)29/h3-16H,2H2,1H3/b21-13-,24-15-
InChIKey JXTYLQNVXMLZHA-ZZWPXBBISA-N
Mol Weight 425.5 g/mol
Molecular Formula C26H19NO3S
Exact Mass 425.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Har7n7Lutq4
Name 1H-2-benzopyran-1,3(4H)-dione, 4-[2-(3-ethyl-5-phenyl-2(3H)-benzothiazolylidene)ethylidene]-
Alternate Name(s) 4-(2-(3-ethyl-5-phenylbenzo[d]thiazol-2(3H)-ylidene)ethylidene)isochroman-1,3-dione 4-[2-(3-ethyl-5-phenyl-1,3-benzothiazol-2-ylidene)ethylidene]-3,4-dihydro-1H-2-benzopyran-1,3-dione 4-[2-(3-ethyl-5-phenyl-1,3-benzothiazol-2-ylidene)ethylidene]isochromane-1,3-dione 4-[2-(3-ethyl-5-phenyl-1,3-benzothiazol-2-ylidene)ethylidene]isochromene-1,3-dione
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Formula C26H19NO3S
InChI InChI=1S/C26H19NO3S/c1-2-27-22-16-18(17-8-4-3-5-9-17)12-14-23(22)31-24(27)15-13-21-19-10-6-7-11-20(19)25(28)30-26(21)29/h3-16H,2H2,1H3/b21-13-,24-15-
InChIKey JXTYLQNVXMLZHA-ZZWPXBBISA-N
Molecular Weight 425.502 g/mol
SMILES CCN1\C(Sc2ccc(cc12)-c1ccccc1)=C\C=C/1C(=O)OC(=O)c2ccccc12
SPLASH splash10-004l-9142200000-e3a67f195c53cb11e6de
Source of Spectrum JX-2015-4-331
Wiley ID 1725776