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6-NITRO-HEXAHYDRO-ECHINULIN

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6-NITRO-HEXAHYDRO-ECHINULIN
SpectraBase Compound ID I4iM8BLzg7N
InChI InChI=1S/C29H44N4O4/c1-9-29(7,8)26-22(15-23-28(35)30-18(6)27(34)31-23)21-14-19(12-10-16(2)3)25(33(36)37)20(24(21)32-26)13-11-17(4)5/h14,16-18,23,32H,9-13,15H2,1-8H3,(H,30,35)(H,31,34)
InChIKey YLRKRWOWKBMZGJ-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C29H44N4O4
Exact Mass 512.336256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CR9ijj081A
Name 6-NITRO-HEXAHYDRO-ECHINULIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44N4O4
InChI InChI=1S/C29H44N4O4/c1-9-29(7,8)26-22(15-23-28(35)30-18(6)27(34)31-23)21-14-19(12-10-16(2)3)25(33(36)37)20(24(21)32-26)13-11-17(4)5/h14,16-18,23,32H,9-13,15H2,1-8H3,(H,30,35)(H,31,34)
InChIKey YLRKRWOWKBMZGJ-UHFFFAOYSA-N
Literature Reference Author R.R.FRASER,S.PASSANNANTI,F.PIOZZI
Literature Reference Citation CAN.J.CHEM.,54,2915(1976)
Literature Reference DOI 10.1139/v76-412
Molecular Weight 512.693 g/mol
Solvent CDCl3
Source File Reference UWED2107