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Ethyl 3-[Bis(1,3-benzothiazol-2-yl)(hydroxy)methyl]benzoate
SpectraBase Compound ID 4mnX7B8zTIZ
InChI InChI=1S/C24H18N2O3S2/c1-2-29-21(27)15-8-7-9-16(14-15)24(28,22-25-17-10-3-5-12-19(17)30-22)23-26-18-11-4-6-13-20(18)31-23/h3-14,28H,2H2,1H3
InChIKey ACRXOQKEOLADMD-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 1uEtQOzAY8E
Name Ethyl 3-[Bis(1,3-benzothiazol-2-yl)(hydroxy)methyl]benzoate
Alternate Name(s) 3-[bis(1,3-benzothiazol-2-yl)-hydroxymethyl]benzoic acid ethyl ester Ethyl 3-[bis(1,3-benzothiazol-2-yl)-hydroxymethyl]benzoate Ethyl 3-[bis(1,3-benzothiazol-2-yl)-hydroxy-methyl]benzoate Ethyl 3-[bis(1,3-benzothiazol-2-yl)-oxidanyl-methyl]benzoate
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Formula C24H18N2O3S2
InChI InChI=1S/C24H18N2O3S2/c1-2-29-21(27)15-8-7-9-16(14-15)24(28,22-25-17-10-3-5-12-19(17)30-22)23-26-18-11-4-6-13-20(18)31-23/h3-14,28H,2H2,1H3
InChIKey ACRXOQKEOLADMD-UHFFFAOYSA-N
Molecular Weight 446.539 g/mol
SMILES OC(c1nc2ccccc2s1)(c1nc2ccccc2s1)c1cc(C(=O)OCC)ccc1
SPLASH splash10-0002-0033900000-29e9078f0b5c45958a0d
Source of Spectrum U1-2010-5663-5i
Wiley ID 1664480