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CIS-3,4-DIHYDRO-2-TERT.-BUTOXY-4-(ORTHO-NITROPHENYL)-2H,5H-PYRANO-[3,2-C]-[1]-BENZOPYRAN-5-ONE
SpectraBase Compound ID 8kqYFBuirCT
InChI InChI=1S/C22H21NO6/c1-22(2,3)29-18-12-15(13-8-4-6-10-16(13)23(25)26)19-20(28-18)14-9-5-7-11-17(14)27-21(19)24/h4-11,15,18H,12H2,1-3H3/t15-,18-/m1/s1
InChIKey CYHXEFLXAKVJMV-CRAIPNDOSA-N
Mol Weight 395.41 g/mol
Molecular Formula C22H21NO6
Exact Mass 395.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DnjL1eis6ZS
Name CIS-3,4-DIHYDRO-2-TERT.-BUTOXY-4-(ORTHO-NITROPHENYL)-2H,5H-PYRANO-[3,2-C]-[1]-BENZOPYRAN-5-ONE
Compound Number 1 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21NO6
InChI InChI=1S/C22H21NO6/c1-22(2,3)29-18-12-15(13-8-4-6-10-16(13)23(25)26)19-20(28-18)14-9-5-7-11-17(14)27-21(19)24/h4-11,15,18H,12H2,1-3H3/t15-,18-/m1/s1
InChIKey CYHXEFLXAKVJMV-CRAIPNDOSA-N
Literature Reference Author R.ANNUNZIATA,L.RAIMONDI,G.M.NANO,G.PALMISANO,S.TAGLIAPIETRA
Literature Reference Citation MAGN.RES.CHEM.,35,721(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199711)35:11<721::aid-omr161>3.0.co;2-i
Molecular Weight 395.412 g/mol
Solvent CDCl3
Source File Reference UWCP3710