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6-chloro-1-(4-methoxyphenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-one
SpectraBase Compound ID 4XuFG5bQePr
InChI InChI=1S/C25H39B2ClO6/c1-21(2)22(3,4)32-26(31-21)25(15-10-16-28,27-33-23(5,6)24(7,8)34-27)17-20(29)18-11-13-19(30-9)14-12-18/h11-14H,10,15-17H2,1-9H3
InChIKey ONGDIRBFQJBARL-UHFFFAOYSA-N
Mol Weight 492.7 g/mol
Molecular Formula C25H39B2ClO6
Exact Mass 492.262127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50EeuALkoq
Name 6-chloro-1-(4-methoxyphenyl)-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-one
Appearance White foam
Carrier Gas Nitrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.262127010 u
Formula C25H39B2ClO6
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C25H39B2ClO6/c1-21(2)22(3,4)32-26(31-21)25(15-10-16-28,27-33-23(5,6)24(7,8)34-27)17-20(29)18-11-13-19(30-9)14-12-18/h11-14H,10,15-17H2,1-9H3
InChIKey ONGDIRBFQJBARL-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 492.654 g/mol
Quality 42
Reported Formula C25H39B2ClO6
SMILES C(CCC(CC(C=1C=CC(=CC1)OC)=O)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)Cl
SPLASH splash10-0udi-0911000000-51485192f5ba57bf0bb9
Source of Spectrum QE-29-SM5-3ea (DOI: 10.1002/chem.202301826)
Wiley ID 1912036