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3,3,4,4-Tetramethyl-1-[2'-benzoylethenyl]-1-bora-2,5-dioxacyclopentane
SpectraBase Compound ID L6MCuIaNrey
InChI InChI=1S/C21H23BO3/c1-20(2)21(3,4)25-22(24-20)18-13-10-16(11-14-18)12-15-19(23)17-8-6-5-7-9-17/h5-15H,1-4H3/b15-12+
InChIKey RARHISMDMAUGCB-NTCAYCPXSA-N
Mol Weight 334.2 g/mol
Molecular Formula C21H23BO3
Exact Mass 334.174025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6UNtdjcEvS
Name 3,3,4,4-Tetramethyl-1-[2'-benzoylethenyl]-1-bora-2,5-dioxacyclopentane
Comments Computed using HOSE algorithm
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Exact Mass 334.174024768 u
Formula C21H23BO3
InChI InChI=1S/C21H23BO3/c1-20(2)21(3,4)25-22(24-20)18-13-10-16(11-14-18)12-15-19(23)17-8-6-5-7-9-17/h5-15H,1-4H3/b15-12+
InChIKey RARHISMDMAUGCB-NTCAYCPXSA-N
Molecular Weight 334.222 g/mol
SMILES C1(OB(OC1(C)C)C1=CC=C(\C=C\C(=O)C=2C=CC=CC2)C=C1)(C)C