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(2A-R*)-(6A-S*)-(13B-S*)-13B-(4-METHYLPHENYL)-OCTAHYDRO-ISOINDOLO-[1,2-C]-PERHYDRO-[2,4]-BENZ-OXAZEPIN-9-ONE
SpectraBase Compound ID ZrG6E5xneA
InChI InChI=1S/C23H25NO2/c1-16-10-12-19(13-11-16)23-21-9-5-4-8-20(21)22(25)24(23)14-17-6-2-3-7-18(17)15-26-23/h4-5,8-13,17-18H,2-3,6-7,14-15H2,1H3/t17-,18+,23?/m0/s1
InChIKey ITTYGTDSAMUFEZ-BSKKSYLPSA-N
Mol Weight 347.46 g/mol
Molecular Formula C23H25NO2
Exact Mass 347.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cw7aQMtD4Ka
Name (2A-R*)-(6A-S*)-(13B-S*)-13B-(4-METHYLPHENYL)-OCTAHYDRO-ISOINDOLO-[1,2-C]-PERHYDRO-[2,4]-BENZ-OXAZEPIN-9-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H25NO2
InChI InChI=1S/C23H25NO2/c1-16-10-12-19(13-11-16)23-21-9-5-4-8-20(21)22(25)24(23)14-17-6-2-3-7-18(17)15-26-23/h4-5,8-13,17-18H,2-3,6-7,14-15H2,1H3/t17-,18+,23?/m0/s1
InChIKey ITTYGTDSAMUFEZ-BSKKSYLPSA-N
Literature Reference Author P.SOHAR,G.STAJER,K.NAGY,G.BERNATH
Literature Reference Citation MAGN.RES.CHEM.,33,329(1995)
Literature Reference DOI 10.1002/mrc.1260330503
Molecular Weight 347.457 g/mol
Solvent CDCl3
Source File Reference UWRU1613