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3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

View entire compound with spectra: 1 MS (GC)

3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SpectraBase Compound ID AyjpaRHDwHO
InChI InChI=1S/C12H17BClNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7H,15H2,1-4H3
InChIKey YKQXROMICPMQBZ-UHFFFAOYSA-N
Mol Weight 253.5 g/mol
Molecular Formula C12H17BClNO2
Exact Mass 253.104087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67cyPktdujD
Name 3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Alternate Name(s) 3-Chloranyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17BClNO2
InChI InChI=1S/C12H17BClNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7H,15H2,1-4H3
InChIKey YKQXROMICPMQBZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo402618r
Molecular Weight 253.536 g/mol
SMILES Nc1cc(c(B2OC(C)(C)C(C)(O2)C)cc1)Cl
SPLASH splash10-0udi-1960000000-7e8422e65fb1021a293f
Source of Spectrum J-79-1983-3d
Wiley ID 1746030