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Dibutyl 3,3'-{2-[1-(4-bromophenyl)-1-oxido-5-phenyl-1l6,2-thiazin-3-yl}-1,3-phenylene)(2E,2'E)-diacrylate
SpectraBase Compound ID Jl4WiQCoJnw
InChI InChI=1S/C36H36BrNO5S/c1-3-5-23-42-34(39)21-15-28-13-10-14-29(16-22-35(40)43-24-6-4-2)36(28)33-25-30(27-11-8-7-9-12-27)26-44(41,38-33)32-19-17-31(37)18-20-32/h7-22,25-26H,3-6,23-24H2,1-2H3/b21-15+,22-16+
InChIKey ODOYSEPPVYVKQB-YHARCJFQSA-N
Mol Weight 674.7 g/mol
Molecular Formula C36H36BrNO5S
Exact Mass 673.149757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10e9Hm0x3aP
Name Dibutyl 3,3'-{2-[1-(4-bromophenyl)-1-oxido-5-phenyl-1l6,2-thiazin-3-yl}-1,3-phenylene)(2E,2'E)-diacrylate
Appearance Yellow gum
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Exact Mass 673.149757432 u
Formula C36H36BrNO5S
InChI InChI=1S/C36H36BrNO5S/c1-3-5-23-42-34(39)21-15-28-13-10-14-29(16-22-35(40)43-24-6-4-2)36(28)33-25-30(27-11-8-7-9-12-27)26-44(41,38-33)32-19-17-31(37)18-20-32/h7-22,25-26H,3-6,23-24H2,1-2H3/b21-15+,22-16+
InChIKey ODOYSEPPVYVKQB-YHARCJFQSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600725
Molecular Weight 674.650 g/mol
Quality 31
Reported Formula C36H36NO5BrS
SMILES C1=CC(=CC=C1)C1=CS(C=2C=CC(=CC2)Br)(=O)=NC(C=2C(=CC=CC2\C=C\C(=O)OCCCC)\C=C\C(OCCCC)=O)=C1
SPLASH splash10-0pb9-0490000000-c1494c375073593a2d58
Source of Spectrum QE-22-SM24-7c' (DOI: 10.1002/chem.201600725)
Wiley ID 1903290