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1-(naphthalen-1-yl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-1-one
SpectraBase Compound ID DWE0yQwv7Wt
InChI InChI=1S/C30H44B2O5/c1-10-11-14-20-30(31-34-26(2,3)27(4,5)35-31,32-36-28(6,7)29(8,9)37-32)21-25(33)24-19-15-17-22-16-12-13-18-23(22)24/h12-13,15-19H,10-11,14,20-21H2,1-9H3
InChIKey BHEFUEVJLZZOLX-UHFFFAOYSA-N
Mol Weight 506.3 g/mol
Molecular Formula C30H44B2O5
Exact Mass 506.337485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LPAN4aR5U
Name 1-(naphthalen-1-yl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-1-one
Appearance Yellow sticky oil
Carrier Gas Nitrogen
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Exact Mass 506.337484852 u
Formula C30H44B2O5
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C30H44B2O5/c1-10-11-14-20-30(31-34-26(2,3)27(4,5)35-31,32-36-28(6,7)29(8,9)37-32)21-25(33)24-19-15-17-22-16-12-13-18-23(22)24/h12-13,15-19H,10-11,14,20-21H2,1-9H3
InChIKey BHEFUEVJLZZOLX-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 506.297 g/mol
Quality 4
Reported Formula C30H44B2O5
SMILES CCCCCC(CC(C=1C=CC=C2C1C=CC=C2)=O)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
SPLASH splash10-00di-0911100000-9bc938edf0107e76531f
Source of Spectrum QE-29-SM4-3al (DOI: 10.1002/chem.202301826)
Wiley ID 1912032