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3-(3,4,5-Trimethoxyphenyl)-4-(4-bromophenyl)thiazole-2(3H)-thione
SpectraBase Compound ID EijQSIFrBqH
InChI InChI=1S/C18H16BrNO3S2/c1-21-15-8-13(9-16(22-2)17(15)23-3)20-14(10-25-18(20)24)11-4-6-12(19)7-5-11/h4-10H,1-3H3
InChIKey MNXKXIQBUGWVST-UHFFFAOYSA-N
Mol Weight 438.35 g/mol
Molecular Formula C18H16BrNO3S2
Exact Mass 436.975499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlfJd3m4rLV
Name 3-(3,4,5-Trimethoxyphenyl)-4-(4-bromophenyl)thiazole-2(3H)-thione
Comments Computed using HOSE algorithm
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Exact Mass 436.975498724 u
Formula C18H16BrNO3S2
InChI InChI=1S/C18H16BrNO3S2/c1-21-15-8-13(9-16(22-2)17(15)23-3)20-14(10-25-18(20)24)11-4-6-12(19)7-5-11/h4-10H,1-3H3
InChIKey MNXKXIQBUGWVST-UHFFFAOYSA-N
Molecular Weight 438.354 g/mol
SMILES C=1(N(C(SC1)=S)C1=CC(OC)=C(C(=C1)OC)OC)C=1C=CC(=CC1)Br