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2-[(5S)-1,2-dideuterio-5-(4-methoxyphenyl)-5-phenyl-pentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SpectraBase Compound ID Ie0XIu7rHXM
InChI InChI=1S/C24H33BO3/c1-23(2)24(3,4)28-25(27-23)18-10-9-13-22(19-11-7-6-8-12-19)20-14-16-21(26-5)17-15-20/h6-8,11-12,14-17,22H,9-10,13,18H2,1-5H3/t22-/m0/s1/i10D,18D/t10?,18?,22-
InChIKey FMGACSLBPQODHK-KFBASXITSA-N
Mol Weight 382.3 g/mol
Molecular Formula C24H31D2BO3
Exact Mass 382.264829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASj8IYRFTw4
Name 2-[(5S)-1,2-dideuterio-5-(4-methoxyphenyl)-5-phenyl-pentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31D2BO3
GC Oven Program Oven temp 250oC
InChI InChI=1S/C24H33BO3/c1-23(2)24(3,4)28-25(27-23)18-10-9-13-22(19-11-7-6-8-12-19)20-14-16-21(26-5)17-15-20/h6-8,11-12,14-17,22H,9-10,13,18H2,1-5H3/t22-/m0/s1/i10D,18D/t10?,18?,22-
InChIKey FMGACSLBPQODHK-KFBASXITSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201907185
Molecular Weight 382.347 g/mol
SMILES c1cccc([C@@](c2ccc(OC)cc2)(CCC(C(B2OC(C)(C)C(C)(C)O2)[D])[D])[H])c1
SPLASH splash10-0002-0900000000-279a201117b93f3e49f0
Source of Spectrum ACI-58-SM45-3o'-D
Wiley ID 1880178