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Monothiobenzoic acid, 9-borabicyclo[3.3.1]non-9-yl ester (N-B) .gamma.-Picoline
SpectraBase Compound ID K0LNtDr18Xa
InChI InChI=1S/C21H26BNOS/c1-17-13-15-23(16-14-17)22(19-9-5-10-20(22)12-6-11-19)25-21(24)18-7-3-2-4-8-18/h2-4,7-8,13-16,19-20H,5-6,9-12H2,1H3
InChIKey MCLPVGGLCNOYHP-UHFFFAOYSA-N
Mol Weight 351.3 g/mol
Molecular Formula C21H26BNOS
Exact Mass 351.182816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HcQK3mM9fQ
Name Monothiobenzoic acid, 9-borabicyclo[3.3.1]non-9-yl ester (N-B) .gamma.-Picoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26BNOS
InChI InChI=1S/C21H26BNOS/c1-17-13-15-23(16-14-17)22(19-9-5-10-20(22)12-6-11-19)25-21(24)18-7-3-2-4-8-18/h2-4,7-8,13-16,19-20H,5-6,9-12H2,1H3
InChIKey MCLPVGGLCNOYHP-UHFFFAOYSA-N
Molecular Weight 351.315 g/mol
SMILES c1cc(ccc1)C(=O)S[B-]1(C2CCCC1CCC2)[n+]1ccc(cc1)C
SPLASH splash10-00di-6920000000-4d45fa4aeedfa112084e
Wiley ID 1496090