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2-[(1S)-3-deuterio-1-(4-methoxyphenyl)-5-phenyl-pentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SpectraBase Compound ID 8Hee77ksSIB
InChI InChI=1S/C24H33BO3/c1-23(2)24(3,4)28-25(27-23)22(20-15-17-21(26-5)18-16-20)14-10-9-13-19-11-7-6-8-12-19/h6-8,11-12,15-18,22H,9-10,13-14H2,1-5H3/t22-/m0/s1/i10D/t10?,22-
InChIKey BMVBAGSERQVBGP-SMZSNAMNSA-N
Mol Weight 381.3 g/mol
Molecular Formula C24H32DBO3
Exact Mass 381.258552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXw4zsnXlZ
Name 2-[(1S)-3-deuterio-1-(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 C24H32DBO3
GC Oven Program Oven temp 250oC
InChI InChI=1S/C24H33BO3/c1-23(2)24(3,4)28-25(27-23)22(20-15-17-21(26-5)18-16-20)14-10-9-13-19-11-7-6-8-12-19/h6-8,11-12,15-18,22H,9-10,13-14H2,1-5H3/t22-/m0/s1/i10D/t10?,22-
InChIKey BMVBAGSERQVBGP-SMZSNAMNSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201907185
Molecular Weight 381.341 g/mol
SMILES c1cccc(CCC([D])C[C@@](c2ccc(OC)cc2)(B2OC(C)(C)C(C)(C)O2)[H])c1
SPLASH splash10-0002-2592000000-6de196e6838e5d4b01e2
Source of Spectrum ACI-58-SM44-3o-D
Wiley ID 1880180