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Trans-1-(benzo[B]thien-3-yl)-3-(3,5-dimethoxyphenyl)-2-propen-1-one
SpectraBase Compound ID 6vhFCkbVjE5
InChI InChI=1S/C19H16O3S/c1-21-14-9-13(10-15(11-14)22-2)7-8-18(20)17-12-23-19-6-4-3-5-16(17)19/h3-12H,1-2H3/b8-7+
InChIKey RBZKDFZHSWMMEJ-BQYQJAHWSA-N
Mol Weight 324.39 g/mol
Molecular Formula C19H16O3S
Exact Mass 324.082016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zn5rEcyhOz
Name Trans-1-(benzo[B]thien-3-yl)-3-(3,5-dimethoxyphenyl)-2-propen-1-one
Comments Computed using HOSE algorithm
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Exact Mass 324.082015546 u
Formula C19H16O3S
InChI InChI=1S/C19H16O3S/c1-21-14-9-13(10-15(11-14)22-2)7-8-18(20)17-12-23-19-6-4-3-5-16(17)19/h3-12H,1-2H3/b8-7+
InChIKey RBZKDFZHSWMMEJ-BQYQJAHWSA-N
Molecular Weight 324.394 g/mol
SMILES C=1C(=CC(=CC1OC)OC)\C=C\C(C=1C=2C=CC=CC2SC1)=O