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VHKNISXZWLTRMQ-UHFFFAOYSA-N
SpectraBase Compound ID 8jBlFke3Vkr
InChI InChI=1S/C10H7Br2NO3/c1-6(14)16-10(2-3-13)4-7(11)9(15)8(12)5-10/h4-5H,2H2,1H3
InChIKey VHKNISXZWLTRMQ-UHFFFAOYSA-N
Mol Weight 348.98 g/mol
Molecular Formula C10H7Br2NO3
Exact Mass 346.879269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtEG84Xw2QN
Name 2-(1'-ACETOXY-3',5'-DIBROMO-4'-OXOCYCLOHEXA-2',5'-DIENYL)-ACETONITRILE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7Br2NO3
InChI InChI=1S/C10H7Br2NO3/c1-6(14)16-10(2-3-13)4-7(11)9(15)8(12)5-10/h4-5H,2H2,1H3
InChIKey VHKNISXZWLTRMQ-UHFFFAOYSA-N
Literature Reference Author J.R.CARNEY,K.L.RINEHART
Literature Reference Citation J.NAT.PROD.,58,971(1995)
Literature Reference DOI 10.1021/np50121a001
Molecular Weight 348.978 g/mol
Solvent CDCl3
Source File Reference UWVP6509