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(S)-Ethyl 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)-3-phenylpropanoate
SpectraBase Compound ID IUTW6j5arCU
InChI InChI=1S/C23H29BO5/c1-6-26-21(25)20(16-17-10-8-7-9-11-17)27-19-14-12-18(13-15-19)24-28-22(2,3)23(4,5)29-24/h7-15,20H,6,16H2,1-5H3/t20-/m0/s1
InChIKey WSPBUAUQWDJQDF-FQEVSTJZSA-N
Mol Weight 396.3 g/mol
Molecular Formula C23H29BO5
Exact Mass 396.210804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8y5XDIpMsic
Name (S)-Ethyl 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)-3-phenylpropanoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29BO5
InChI InChI=1S/C23H29BO5/c1-6-26-21(25)20(16-17-10-8-7-9-11-17)27-19-14-12-18(13-15-19)24-28-22(2,3)23(4,5)29-24/h7-15,20H,6,16H2,1-5H3/t20-/m0/s1
InChIKey WSPBUAUQWDJQDF-FQEVSTJZSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.8b00835
Molecular Weight 396.290 g/mol
SMILES c1c(ccc(c1)O[C@](C(=O)OCC)(Cc1ccccc1)[H])B1OC(C(O1)(C)C)(C)C
SPLASH splash10-009b-0935000000-3aaf840aaf6e34fdf1cc
Source of Spectrum AF-61-8291-(S)-3a
Wiley ID 1871911