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E-5-[4-(4-Bromobenzoylmethoxy)phenylmethylene]-2-peperidin-1-yl-1,3-thiazolin-4-one
SpectraBase Compound ID 9N06b5U7TqX
InChI InChI=1S/C23H21BrN2O3S/c24-18-8-6-17(7-9-18)20(27)15-29-19-10-4-16(5-11-19)14-21-22(28)25-23(30-21)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13,15H2/b21-14+
InChIKey NIAWSEXXJZLNQK-KGENOOAVSA-N
Mol Weight 485.4 g/mol
Molecular Formula C23H21BrN2O3S
Exact Mass 484.045627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvBmJVLrHo6
Name E-5-[4-(4-Bromobenzoylmethoxy)phenylmethylene]-2-peperidin-1-yl-1,3-thiazolin-4-one
Appearance Orange crystals
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Formula C23H21BrN2O3S
InChI InChI=1S/C23H21BrN2O3S/c24-18-8-6-17(7-9-18)20(27)15-29-19-10-4-16(5-11-19)14-21-22(28)25-23(30-21)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13,15H2/b21-14+
InChIKey NIAWSEXXJZLNQK-KGENOOAVSA-N
Instrument Name Shimadzu GC-MS Qp 1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.a01
Molecular Weight 485.396 g/mol
SMILES C=1(S\C(C(N1)=O)=C/c1ccc(cc1)OCC(c1ccc(cc1)Br)=O)N1CCCCC1
SPLASH splash10-0f72-1925100000-f918c52920a84c3d31e5
Source of Spectrum ARK-2006-5-6b
Wiley ID 1871097