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2-[(1E,3E)-8-(Benzyloxy)octa-1,3-dien-1-yl]-4,4,6-trimethyl-1,3,2-dioxaborinane
SpectraBase Compound ID B2JTiDwxsEN
InChI InChI=1S/C21H31BO3/c1-19-17-21(2,3)25-22(24-19)15-11-6-4-5-7-12-16-23-18-20-13-9-8-10-14-20/h4,6,8-11,13-15,19H,5,7,12,16-18H2,1-3H3/b6-4+,15-11+
InChIKey QCNPBUKDQMQDSY-OKOYHYLBSA-N
Mol Weight 342.3 g/mol
Molecular Formula C21H31BO3
Exact Mass 342.236625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWSMZOHHZDk
Name 2-[(1E,3E)-8-(Benzyloxy)octa-1,3-dien-1-yl]-4,4,6-trimethyl-1,3,2-dioxaborinane
Alternate Name(s) 2-((1E,3E)-8-(benzyloxy)octa-1,3-dien-1-yl)-4,4,6-trimethyl-1,3,2-dioxaborinane
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Formula C21H31BO3
InChI InChI=1S/C21H31BO3/c1-19-17-21(2,3)25-22(24-19)15-11-6-4-5-7-12-16-23-18-20-13-9-8-10-14-20/h4,6,8-11,13-15,19H,5,7,12,16-18H2,1-3H3/b6-4+,15-11+
InChIKey QCNPBUKDQMQDSY-OKOYHYLBSA-N
Literature Reference DOI 10.1021/ol302719e
Molecular Weight 342.286 g/mol
SMILES C1(C)(C)CC(OB(\C=C\C=C\CCCCOCc2ccccc2)O1)C
SPLASH splash10-054o-9200000000-7fce6d05ab40b5083ebe
Source of Spectrum A1-14-5594/SMS8-7a
Wiley ID 1750731