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1H-2-benzopyran-1,3(4H)-dione, 4-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]ethylidene]-
SpectraBase Compound ID K2UJuuDlJcu
InChI InChI=1S/C29H27NO3S/c1-4-30-24-11-7-8-12-25(24)34-26(30)16-20-15-19(17-29(2,3)18-20)13-14-23-21-9-5-6-10-22(21)27(31)33-28(23)32/h5-16H,4,17-18H2,1-3H3/b19-13-,23-14-,26-16-
InChIKey LGPNHTIBAAUVNC-KUAANIIWSA-N
Mol Weight 469.6 g/mol
Molecular Formula C29H27NO3S
Exact Mass 469.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JqDvEbIp0H
Name 1H-2-benzopyran-1,3(4H)-dione, 4-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]ethylidene]-
Alternate Name(s) 4-(2-(3-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)methyl)-5,5-dimethylcyclohex-2-en-1-ylidene)ethylidene)isochroman-1,3-dione 4-[2-[3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-1-cyclohex-2-enylidene]ethylidene]-3,4-dihydro-1H-2-benzopyran-1,3-dione 4-[2-[3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]ethylidene]isochromene-1,3-dione 4-[2-[3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]ethylidene]isochromane-1,3-dione 4-[2-[3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]ethylidene]isochromene-1,3-dione
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Formula C29H27NO3S
InChI InChI=1S/C29H27NO3S/c1-4-30-24-11-7-8-12-25(24)34-26(30)16-20-15-19(17-29(2,3)18-20)13-14-23-21-9-5-6-10-22(21)27(31)33-28(23)32/h5-16H,4,17-18H2,1-3H3/b19-13-,23-14-,26-16-
InChIKey LGPNHTIBAAUVNC-KUAANIIWSA-N
Molecular Weight 469.599 g/mol
SMILES CCN1\C(Sc2ccccc12)=C\C1=C\C(CC(C)(C)C1)=C\C=C/1C(=O)OC(=O)c2ccccc12
SPLASH splash10-052u-9431600000-6071e44ce57bf07553b3
Source of Spectrum JX-2015-4-765
Wiley ID 1726185