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(E,3S)-5-phenyl-3-(4,4,5,5-tetraphenyl-1,3,2-dioxaborolan-2-yl)-4-pentenoic acid ethyl ester
SpectraBase Compound ID G7vmDSb8yaq
InChI InChI=1S/C39H35BO4/c1-2-42-37(41)30-36(29-28-31-18-8-3-9-19-31)40-43-38(32-20-10-4-11-21-32,33-22-12-5-13-23-33)39(44-40,34-24-14-6-15-25-34)35-26-16-7-17-27-35/h3-29,36H,2,30H2,1H3/b29-28+/t36-/m1/s1
InChIKey HPHGXWBDPUTCLV-QJEQCHSKSA-N
Mol Weight 578.5 g/mol
Molecular Formula C39H35BO4
Exact Mass 578.26284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgtbyTZ1WV2
Name (E,3S)-5-phenyl-3-(4,4,5,5-tetraphenyl-1,3,2-dioxaborolan-2-yl)-4-pentenoic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C39H35BO4
InChI InChI=1S/C39H35BO4/c1-2-42-37(41)30-36(29-28-31-18-8-3-9-19-31)40-43-38(32-20-10-4-11-21-32,33-22-12-5-13-23-33)39(44-40,34-24-14-6-15-25-34)35-26-16-7-17-27-35/h3-29,36H,2,30H2,1H3/b29-28+/t36-/m1/s1
InChIKey HPHGXWBDPUTCLV-QJEQCHSKSA-N
Molecular Weight 578.515 g/mol
SMILES C1(C(OB(O1)[C@@](CC(=O)OCC)(\C=C\c1ccccc1)[H])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-004i-0000090000-de1428713c245e960127
Source of Spectrum K1-2004-5015-14
Synonyms (E,3S)-5-phenyl-3-(4,4,5,5-tetraphenyl-1,3,2-dioxaborolan-2-yl)pent-4-enoic acid ethyl ester ethyl (E,3S)-5-phenyl-3-(4,4,5,5-tetraphenyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate
Wiley ID 1560055