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

*Links on SpectraBase are not permalinks.
(3S,4S,5R)-2-BROMO-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-CARBOXYLIC-ACID;2-BROMOSHIKIMIC-ACID
SpectraBase Compound ID MgMt9Yn5IN
InChI InChI=1S/C7H9BrO5/c8-4-2(7(12)13)1-3(9)5(10)6(4)11/h3,5-6,9-11H,1H2,(H,12,13)/t3-,5+,6-/m1/s1
InChIKey DJDPNKVEMYPFDB-PQLUHFTBSA-N
Mol Weight 253.05 g/mol
Molecular Formula C7H9BrO5
Exact Mass 251.963336 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 A5lfseE4udP
Name (3S,4S,5R)-2-BROMO-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-CARBOXYLIC-ACID;2-BROMOSHIKIMIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9BrO5
InChI InChI=1S/C7H9BrO5/c8-4-2(7(12)13)1-3(9)5(10)6(4)11/h3,5-6,9-11H,1H2,(H,12,13)/t3-,5+,6-/m1/s1
InChIKey DJDPNKVEMYPFDB-PQLUHFTBSA-N
Literature Reference Author C.GONZALES-BELLO,M.K.MANTHEY,J.H.HARRIS,A.R.HAWKINS,J.R.COGG INS,C.ABELL
Literature Reference Citation J.ORG.CHEM.,63,1591(1998)
Literature Reference DOI 10.1021/jo971858i
Molecular Weight 253.049 g/mol
Sample ID 27950
Solvent D2O