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#23;4-NITRO-BENZOIC-ACID-[(1A-ALPHA,2-BETA,2A-BETA,3-BETA,6-BETA,6A-BETA,6B-ALPHA)-1,1A,2,2A,3,6,6A,6B-OCTAHYDRO-7,7-DIMETHOXY-3,6-METHANOCYCLOPROPA-[A]-INDENE
SpectraBase Compound ID KwQOHp7IrpX
InChI InChI=1S/C20H21NO6/c1-25-20(26-2)14-7-8-15(20)17-16(14)12-9-13(12)18(17)27-19(22)10-3-5-11(6-4-10)21(23)24/h3-8,12-18H,9H2,1-2H3/t12-,13+,14+,15-,16-,17+,18-/m1/s1
InChIKey YPVALFCTQLCZTN-QQNKPZKVSA-N
Mol Weight 371.39 g/mol
Molecular Formula C20H21NO6
Exact Mass 371.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4bqBu8sHNJm
Name #23;4-NITRO-BENZOIC-ACID-[(1A-ALPHA,2-BETA,2A-BETA,3-BETA,6-BETA,6A-BETA,6B-ALPHA)-1,1A,2,2A,3,6,6A,6B-OCTAHYDRO-7,7-DIMETHOXY-3,6-METHANOCYCLOPROPA-[A]-INDENE
CAS Registry Number 115408-29-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21NO6
InChI InChI=1S/C20H21NO6/c1-25-20(26-2)14-7-8-15(20)17-16(14)12-9-13(12)18(17)27-19(22)10-3-5-11(6-4-10)21(23)24/h3-8,12-18H,9H2,1-2H3/t12-,13+,14+,15-,16-,17+,18-/m1/s1
InChIKey YPVALFCTQLCZTN-QQNKPZKVSA-N
Literature Reference Author S.FREUND,H.HENNEBERGER,M.CHRISTL
Literature Reference Citation CHEM.BER.,121,1665(1988)
Literature Reference DOI 10.1002/cber.19881210920
Molecular Weight 371.390 g/mol
Solvent CDCl3
Source File Reference UWGB1660