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4-[[4-[4,6-bis[4-(4-carbomethoxybenzyl)-3-furyl]-1,3,5,2,4,6-trioxatriborinan-2-yl]-3-furyl]methyl]benzoic acid methyl ester
SpectraBase Compound ID JvfRWajnZhz
InChI InChI=1S/C39H33B3O12/c1-46-37(43)28-10-4-25(5-11-28)16-31-19-49-22-34(31)40-52-41(35-23-50-20-32(35)17-26-6-12-29(13-7-26)38(44)47-2)54-42(53-40)36-24-51-21-33(36)18-27-8-14-30(15-9-27)39(45)48-3/h4-15,19-24H,16-18H2,1-3H3
InChIKey XFCQMRBTDJNYBH-UHFFFAOYSA-N
Mol Weight 726.1 g/mol
Molecular Formula C39H33B3O12
Exact Mass 726.225117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LUJHXbffLm
Name 4-[[4-[4,6-bis[4-(4-carbomethoxybenzyl)-3-furyl]-1,3,5,2,4,6-trioxatriborinan-2-yl]-3-furyl]methyl]benzoic acid methyl ester
Alternate Name(s) 4-[[4-[4,6-bis[4-[(4-methoxycarbonylphenyl)methyl]-3-furanyl]-1,3,5,2,4,6-trioxatriborinan-2-yl]-3-furanyl]methyl]benzoic acid methyl ester Methyl 4-[[4-[4,6-bis[4-[(4-methoxycarbonylphenyl)methyl]-3-furyl]-1,3,5,2,4,6-trioxatriborinan-2-yl]-3-furyl]methyl]benzoate Methyl 4-[[4-[4,6-bis[4-[(4-methoxycarbonylphenyl)methyl]furan-3-yl]-1,3,5,2,4,6-trioxatriborinan-2-yl]furan-3-yl]methyl]benzoate
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Formula C39H33B3O12
InChI InChI=1S/C39H33B3O12/c1-46-37(43)28-10-4-25(5-11-28)16-31-19-49-22-34(31)40-52-41(35-23-50-20-32(35)17-26-6-12-29(13-7-26)38(44)47-2)54-42(53-40)36-24-51-21-33(36)18-27-8-14-30(15-9-27)39(45)48-3/h4-15,19-24H,16-18H2,1-3H3
InChIKey XFCQMRBTDJNYBH-UHFFFAOYSA-N
Molecular Weight 726.111 g/mol
SMILES c1(B2OB(OB(O2)c2c(coc2)Cc2ccc(C(=O)OC)cc2)c2c(coc2)Cc2ccc(C(=O)OC)cc2)c(coc1)Cc1ccc(C(=O)OC)cc1
SPLASH splash10-05r0-0930000000-e227a9a13b14cd9bcf70
Source of Spectrum U-1994-33-8
Wiley ID 765618