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(Z)-2-(1,4-Bis(4-(tert-butyl)phenyl)but-1-en-3-yn-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SpectraBase Compound ID I2t76JE5QBr
InChI InChI=1S/C30H39BO2/c1-27(2,3)24-16-11-22(12-17-24)15-20-26(31-32-29(7,8)30(9,10)33-31)21-23-13-18-25(19-14-23)28(4,5)6/h11-14,16-19,21H,1-10H3/b26-21+
InChIKey OZJBKSQMHZOPEE-YYADALCUSA-N
Mol Weight 442.5 g/mol
Molecular Formula C30H39BO2
Exact Mass 442.304311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2zjXIFzabd
Name (Z)-2-(1,4-Bis(4-(tert-butyl)phenyl)but-1-en-3-yn-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H39BO2
InChI InChI=1S/C30H39BO2/c1-27(2,3)24-16-11-22(12-17-24)15-20-26(31-32-29(7,8)30(9,10)33-31)21-23-13-18-25(19-14-23)28(4,5)6/h11-14,16-19,21H,1-10H3/b26-21+
InChIKey OZJBKSQMHZOPEE-YYADALCUSA-N
Instrument Name Bruker Scion 436-Scion SQ
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900939
Molecular Weight 442.450 g/mol
SMILES c1(ccc(cc1)\C=C/(B1OC(C(O1)(C)C)(C)C)C#Cc1ccc(cc1)C(C)(C)C)C(C)(C)C
SPLASH splash10-000x-5123900000-2f03923d0510322157dc
Source of Spectrum ASC-362-SM4-3d
Wiley ID 1838119