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2,4,6-tris[4-(4-nitrobenzyl)-3-furyl]-1,3,5,2,4,6-trioxatriborinane

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2,4,6-tris[4-(4-nitrobenzyl)-3-furyl]-1,3,5,2,4,6-trioxatriborinane
SpectraBase Compound ID B1zDy980lzZ
InChI InChI=1S/C33H24B3N3O12/c40-37(41)28-7-1-22(2-8-28)13-25-16-46-19-31(25)34-49-35(32-20-47-17-26(32)14-23-3-9-29(10-4-23)38(42)43)51-36(50-34)33-21-48-18-27(33)15-24-5-11-30(12-6-24)39(44)45/h1-12,16-21H,13-15H2
InChIKey IKCXNTCCDLWGSC-UHFFFAOYSA-N
Mol Weight 687.0 g/mol
Molecular Formula C33H24B3N3O12
Exact Mass 687.163914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUQEH1RLSNq
Name 2,4,6-tris[4-(4-nitrobenzyl)-3-furyl]-1,3,5,2,4,6-trioxatriborinane
Alternate Name(s) 2,4,6-tris[4-[(4-nitrophenyl)methyl]-3-furanyl]-1,3,5,2,4,6-trioxatriborinane 2,4,6-tris[4-[(4-nitrophenyl)methyl]-3-furyl]-1,3,5,2,4,6-trioxatriborinane 2,4,6-tris[4-[(4-nitrophenyl)methyl]furan-3-yl]-1,3,5,2,4,6-trioxatriborinane
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Formula C33H24B3N3O12
InChI InChI=1S/C33H24B3N3O12/c40-37(41)28-7-1-22(2-8-28)13-25-16-46-19-31(25)34-49-35(32-20-47-17-26(32)14-23-3-9-29(10-4-23)38(42)43)51-36(50-34)33-21-48-18-27(33)15-24-5-11-30(12-6-24)39(44)45/h1-12,16-21H,13-15H2
InChIKey IKCXNTCCDLWGSC-UHFFFAOYSA-N
Molecular Weight 686.994 g/mol
SMILES c1(B2OB(OB(O2)c2c(coc2)Cc2ccc(N(=O)=O)cc2)c2c(coc2)Cc2ccc(N(=O)=O)cc2)c(coc1)Cc1ccc(N(=O)=O)cc1
SPLASH splash10-0fb9-0960001000-bab648ffa1094cae0adb
Source of Spectrum U-1994-33-8
Wiley ID 765619