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1-(3-chlorophenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-1-one
SpectraBase Compound ID 8tezEIJNnKL
InChI InChI=1S/C26H41B2ClO5/c1-10-11-12-16-26(27-31-22(2,3)23(4,5)32-27,28-33-24(6,7)25(8,9)34-28)18-21(30)19-14-13-15-20(29)17-19/h13-15,17H,10-12,16,18H2,1-9H3
InChIKey IPJBZTHCDVEVQQ-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C26H41B2ClO5
Exact Mass 490.282862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYDdb3J6c83
Name 1-(3-chlorophenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octan-1-one
Appearance White foam
Carrier Gas Nitrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.282862455 u
Formula C26H41B2ClO5
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C26H41B2ClO5/c1-10-11-12-16-26(27-31-22(2,3)23(4,5)32-27,28-33-24(6,7)25(8,9)34-28)18-21(30)19-14-13-15-20(29)17-19/h13-15,17H,10-12,16,18H2,1-9H3
InChIKey IPJBZTHCDVEVQQ-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 490.682 g/mol
Quality 41
Reported Formula C26H41B2ClO5
SMILES CCCCCC(CC(C=1C=CC=C(C1)Cl)=O)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
SPLASH splash10-001i-9003000000-0565b2f7c8bfb1d2c3ca
Source of Spectrum QE-29-SM3-3ah (DOI: 10.1002/chem.202301826)
Wiley ID 1912029