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[2-(5-carbethoxy-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl)-3-thienyl]boronic acid
SpectraBase Compound ID LHIKf7bAGDe
InChI InChI=1S/C12H15BN2O5S/c1-3-20-11(16)8-6(2)14-12(17)15-9(8)10-7(13(18)19)4-5-21-10/h4-5,9,18-19H,3H2,1-2H3,(H2,14,15,17)
InChIKey MAIDSUCJMKFPNM-UHFFFAOYSA-N
Mol Weight 310.1 g/mol
Molecular Formula C12H15BN2O5S
Exact Mass 310.079473 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZfln6VcMjQ
Name [2-(5-carbethoxy-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl)-3-thienyl]boronic acid
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15BN2O5S
InChI InChI=1S/C12H15BN2O5S/c1-3-20-11(16)8-6(2)14-12(17)15-9(8)10-7(13(18)19)4-5-21-10/h4-5,9,18-19H,3H2,1-2H3,(H2,14,15,17)
InChIKey MAIDSUCJMKFPNM-UHFFFAOYSA-N
Literature Reference Author J.M.BLACQUIERE,O.SICORA,C.M.VOGELS,M.CUPERLOVIC-CULF,A.DECKE N,R.J.OUELLETTE,S.
Literature Reference Citation CAN.J.CHEM.,83,2052(2005)
Literature Reference DOI 10.1139/v05-211
Solvent THF
Source File Reference UWLU30331