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(Z)-1,1'-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-3-yne-1,4-diyl)dicyclohexanol
SpectraBase Compound ID 8C8v001UNN3
InChI InChI=1S/C22H35BO4/c1-19(2)20(3,4)27-23(26-19)18(17-22(25)14-9-6-10-15-22)11-16-21(24)12-7-5-8-13-21/h17,24-25H,5-10,12-15H2,1-4H3/b18-17+
InChIKey NHHOQUGJCXIWDC-ISLYRVAYSA-N
Mol Weight 374.3 g/mol
Molecular Formula C22H35BO4
Exact Mass 374.26284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 445S3LJ33p9
Name (Z)-1,1'-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-3-yne-1,4-diyl)dicyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35BO4
InChI InChI=1S/C22H35BO4/c1-19(2)20(3,4)27-23(26-19)18(17-22(25)14-9-6-10-15-22)11-16-21(24)12-7-5-8-13-21/h17,24-25H,5-10,12-15H2,1-4H3/b18-17+
InChIKey NHHOQUGJCXIWDC-ISLYRVAYSA-N
Instrument Name Bruker Scion 436-Scion SQ
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900939
Molecular Weight 374.328 g/mol
SMILES OC1(C#C\C(=C/C2(CCCCC2)O)B2OC(C(O2)(C)C)(C)C)CCCCC1
SPLASH splash10-0a4i-9863000000-9db597b58e05a26bbb0b
Source of Spectrum ASC-362-SM7-3l
Wiley ID 1838127