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7-(4-methoxyphenyl)-7-oxo-5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptanenitrile
SpectraBase Compound ID IE1qzEiEJBq
InChI InChI=1S/C26H39B2NO6/c1-22(2)23(3,4)33-27(32-22)26(16-10-11-17-29,28-34-24(5,6)25(7,8)35-28)18-21(30)19-12-14-20(31-9)15-13-19/h12-15H,10-11,16,18H2,1-9H3
InChIKey VJJMDABDBRMQOD-UHFFFAOYSA-N
Mol Weight 483.2 g/mol
Molecular Formula C26H39B2NO6
Exact Mass 483.296348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ft8KZdEfSw1
Name 7-(4-methoxyphenyl)-7-oxo-5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptanenitrile
Appearance White foam
Carrier Gas Nitrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.296348314 u
Formula C26H39B2NO6
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C26H39B2NO6/c1-22(2)23(3,4)33-27(32-22)26(16-10-11-17-29,28-34-24(5,6)25(7,8)35-28)18-21(30)19-12-14-20(31-9)15-13-19/h12-15H,10-11,16,18H2,1-9H3
InChIKey VJJMDABDBRMQOD-UHFFFAOYSA-N
Instrument Name Shimadzu 2014 with FID detector
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301826
Molecular Weight 483.219 g/mol
Quality 10
Reported Formula C26H39B2NO6
SMILES C(CCC(CC(C=1C=CC(=CC1)OC)=O)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)C#N
SPLASH splash10-0udi-0912000000-b893cab01d3a97c301cb
Source of Spectrum QE-29-SM6-3fa (DOI: 10.1002/chem.202301826)
Wiley ID 1912037