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4,6-Dibenzoyl-5-tert-butoxycarbonyloxy-isophthalic acid diethyl ester
SpectraBase Compound ID LOYK2BlF1d4
InChI InChI=1S/C31H30O9/c1-6-37-28(34)21-18-22(29(35)38-7-2)24(26(33)20-16-12-9-13-17-20)27(39-30(36)40-31(3,4)5)23(21)25(32)19-14-10-8-11-15-19/h8-18H,6-7H2,1-5H3
InChIKey AYPNPIGMXQNFMH-UHFFFAOYSA-N
Mol Weight 546.57 g/mol
Molecular Formula C31H30O9
Exact Mass 546.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xhkH0xx5Yz
Name 4,6-Dibenzoyl-5-tert-butoxycarbonyloxy-isophthalic acid diethyl ester
Alternate Name(s) Diethyl 4,6-dibenzoyl-5-((tert-butoxycarbonyl)oxy)isophthalate
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Formula C31H30O9
InChI InChI=1S/C31H30O9/c1-6-37-28(34)21-18-22(29(35)38-7-2)24(26(33)20-16-12-9-13-17-20)27(39-30(36)40-31(3,4)5)23(21)25(32)19-14-10-8-11-15-19/h8-18H,6-7H2,1-5H3
InChIKey AYPNPIGMXQNFMH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol0625536
Molecular Weight 546.572 g/mol
SMILES C(OC(Oc1c(c(cc(C(OCC)=O)c1C(c1ccccc1)=O)C(=O)OCC)C(=O)c1ccccc1)=O)(C)(C)C
SPLASH splash10-0002-4226900000-d80a07cdf6e452ce2c65
Source of Spectrum A1-8-5673/SM16-arb1
Wiley ID 1760992