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2,4,6-Tris(4-chlorostyryl)boroxine

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2,4,6-Tris(4-chlorostyryl)boroxine
SpectraBase Compound ID 5TZ0f8vr0ix
InChI InChI=1S/C24H18B3Cl3O3/c28-22-7-1-19(2-8-22)13-16-25-31-26(17-14-20-3-9-23(29)10-4-20)33-27(32-25)18-15-21-5-11-24(30)12-6-21/h1-18H/b16-13+,17-14+,18-15+
InChIKey JVAPEZPQIFFYRW-NLCRRHETSA-N
Mol Weight 493.2 g/mol
Molecular Formula C24H18B3Cl3O3
Exact Mass 492.060068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMXhlURVEkd
Name 2,4,6-Tris(4-chlorostyryl)boroxine
Comments Computed using HOSE algorithm
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Exact Mass 492.060068047 u
Formula C24H18B3Cl3O3
InChI InChI=1S/C24H18B3Cl3O3/c28-22-7-1-19(2-8-22)13-16-25-31-26(17-14-20-3-9-23(29)10-4-20)33-27(32-25)18-15-21-5-11-24(30)12-6-21/h1-18H/b16-13+,17-14+,18-15+
InChIKey JVAPEZPQIFFYRW-NLCRRHETSA-N
Molecular Weight 493.194 g/mol
SMILES C1(\C=C\B2OB(OB(\C=C\C3=CC=C(C=C3)Cl)O2)\C=C\C=2C=CC(=CC2)Cl)=CC=C(C=C1)Cl