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Ethyl 4-[Bis(1,3-benzothiazol-2-yl)(hydroxy)methyl]benzoate
SpectraBase Compound ID 4xGePKPvTow
InChI InChI=1S/C24H18N2O3S2/c1-2-29-21(27)15-11-13-16(14-12-15)24(28,22-25-17-7-3-5-9-19(17)30-22)23-26-18-8-4-6-10-20(18)31-23/h3-14,28H,2H2,1H3
InChIKey VHSCMQNJNDVOLF-UHFFFAOYSA-N
Mol Weight 446.54 g/mol
Molecular Formula C24H18N2O3S2
Exact Mass 446.075885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7K5n8Wblbv1
Name Ethyl 4-[Bis(1,3-benzothiazol-2-yl)(hydroxy)methyl]benzoate
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Formula C24H18N2O3S2
InChI InChI=1S/C24H18N2O3S2/c1-2-29-21(27)15-11-13-16(14-12-15)24(28,22-25-17-7-3-5-9-19(17)30-22)23-26-18-8-4-6-10-20(18)31-23/h3-14,28H,2H2,1H3
InChIKey VHSCMQNJNDVOLF-UHFFFAOYSA-N
Molecular Weight 446.539 g/mol
SMILES OC(c1nc2ccccc2s1)(c1nc2ccccc2s1)c1ccc(C(=O)OCC)cc1
SPLASH splash10-0002-0042900000-8383adcc07386b4f0595
Source of Spectrum U1-2010-5663-5j
Synonyms 4-[bis(1,3-benzothiazol-2-yl)-hydroxymethyl]benzoic acid ethyl ester Ethyl 4-[bis(1,3-benzothiazol-2-yl)-hydroxymethyl]benzoate Ethyl 4-[bis(1,3-benzothiazol-2-yl)-hydroxy-methyl]benzoate Ethyl 4-[bis(1,3-benzothiazol-2-yl)-oxidanyl-methyl]benzoate
Wiley ID 1664479