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(2-ALPHA,3A-BETA,7A-BETA)-3A,7A-DIHYDRO-2-(4-NITROPHENYL)-1,3-BENZODIOXOLE
SpectraBase Compound ID L3sqDTTeF7c
InChI InChI=1S/C13H11NO4/c15-14(16)10-7-5-9(6-8-10)13-17-11-3-1-2-4-12(11)18-13/h1-8,11-13H/t11-,12+,13-
InChIKey DABYIJOKFBYZAP-CLLJXQQHSA-N
Mol Weight 245.23 g/mol
Molecular Formula C13H11NO4
Exact Mass 245.068808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25QnLztyXlS
Name (2-ALPHA,3A-BETA,7A-BETA)-3A,7A-DIHYDRO-2-(4-NITROPHENYL)-1,3-BENZODIOXOLE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11NO4
InChI InChI=1S/C13H11NO4/c15-14(16)10-7-5-9(6-8-10)13-17-11-3-1-2-4-12(11)18-13/h1-8,11-13H/t11-,12+,13-
InChIKey DABYIJOKFBYZAP-CLLJXQQHSA-N
Literature Reference Author J.R.GILLARD,D.J.BURNELL
Literature Reference Citation CAN.J.CHEM.,70,1296(1992)
Literature Reference DOI 10.1139/v92-167
Molecular Weight 245.235 g/mol
Solvent CDCl3
Source File Reference UWVP385