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4-Benzoyl-6-bromo-5-tert-butoxycarbonyloxy-isophthalic acid diethyl ester
SpectraBase Compound ID 8uu3lrHPY0o
InChI InChI=1S/C24H25BrO8/c1-6-30-21(27)15-13-16(22(28)31-7-2)18(25)20(32-23(29)33-24(3,4)5)17(15)19(26)14-11-9-8-10-12-14/h8-13H,6-7H2,1-5H3
InChIKey MKAVCIQHLAMORE-UHFFFAOYSA-N
Mol Weight 521.36 g/mol
Molecular Formula C24H25BrO8
Exact Mass 520.073281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eG4P6Se0
Name 4-Benzoyl-6-bromo-5-tert-butoxycarbonyloxy-isophthalic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25BrO8
InChI InChI=1S/C24H25BrO8/c1-6-30-21(27)15-13-16(22(28)31-7-2)18(25)20(32-23(29)33-24(3,4)5)17(15)19(26)14-11-9-8-10-12-14/h8-13H,6-7H2,1-5H3
InChIKey MKAVCIQHLAMORE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol0625536
Molecular Weight 521.360 g/mol
SMILES c1(C(=O)c2ccccc2)c(c(Br)c(C(=O)OCC)cc1C(OCC)=O)OC(OC(C)(C)C)=O
SPLASH splash10-05i0-2109300000-5713019f0580063abd5a
Source of Spectrum A1-8-5673/SM14-5
Synonyms Diethyl 4-benzoyl-6-bromo-5-((tert-butoxycarbonyl)oxy)isophthalate
Wiley ID 1760989