For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-bromobenzoic acid [(3E)-2-keto-3-(5-keto-3-methoxy-4-methyl-2-furylidene)-6-methoxy-7-methyl-benzofuran-5-yl] ester
SpectraBase Compound ID 2htMWIV1xw2
InChI InChI=1S/C23H17BrO8/c1-10-17-14(16(23(27)31-17)20-19(29-4)11(2)21(25)32-20)9-15(18(10)28-3)30-22(26)12-5-7-13(24)8-6-12/h5-9H,1-4H3/b20-16+
InChIKey YBEWQCLFXCSEHH-CAPFRKAQSA-N
Mol Weight 501.29 g/mol
Molecular Formula C23H17BrO8
Exact Mass 500.01068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DzDJLktCI4L
Name 4-bromobenzoic acid [(3E)-2-keto-3-(5-keto-3-methoxy-4-methyl-2-furylidene)-6-methoxy-7-methyl-benzofuran-5-yl] ester
Compound Number 8B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H17BrO8
InChI InChI=1S/C23H17BrO8/c1-10-17-14(16(23(27)31-17)20-19(29-4)11(2)21(25)32-20)9-15(18(10)28-3)30-22(26)12-5-7-13(24)8-6-12/h5-9H,1-4H3/b20-16+
InChIKey YBEWQCLFXCSEHH-CAPFRKAQSA-N
Literature Reference Author F.KIUCHI,H.TAKASHIMA,Y.TSUDA
Literature Reference Citation CHEM.PHARM.BULL.,46,1229(1998)
Literature Reference DOI 10.1248/cpb.46.1229
Molecular Weight 501.287 g/mol
Solvent CDCl3
Source File Reference UWMS20358