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3-((2,4-DIBROMOPHENYL)-CARBAMOYL)-7-OXABICYCLO-[2.2.1]-HEPTANE-2-CARBOXYLIC-ACID
SpectraBase Compound ID 5VOefwTrBsW
InChI InChI=1S/C14H13Br2NO4/c15-6-1-2-8(7(16)5-6)17-13(18)11-9-3-4-10(21-9)12(11)14(19)20/h1-2,5,9-12H,3-4H2,(H,17,18)(H,19,20)/t9-,10+,11-,12+/m1/s1
InChIKey KGVDEZBQXLHRGR-KXNHARMFSA-N
Mol Weight 419.07 g/mol
Molecular Formula C14H13Br2NO4
Exact Mass 416.921134 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CoHhRSt5yUL
Name 3-((2,4-DIBROMOPHENYL)-CARBAMOYL)-7-OXABICYCLO-[2.2.1]-HEPTANE-2-CARBOXYLIC-ACID
Compound Number II-27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13Br2NO4
InChI InChI=1S/C14H13Br2NO4/c15-6-1-2-8(7(16)5-6)17-13(18)11-9-3-4-10(21-9)12(11)14(19)20/h1-2,5,9-12H,3-4H2,(H,17,18)(H,19,20)/t9-,10+,11-,12+/m1/s1
InChIKey KGVDEZBQXLHRGR-KXNHARMFSA-N
Literature Reference Author Y.WANG,W.SUN,S.ZHA,H.WANG,Y.ZHANG
Literature Reference Citation MOLECULES,20,21464(2015)
Literature Reference DOI 10.3390/molecules201219782
Molecular Weight 419.070 g/mol
Solvent DMSO-D6
Source File Reference UWPA7055