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#24;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-3,6-METHANOCYCLOPROPA-[A]-INDENE-2-YL-ESTER
SpectraBase Compound ID D204CweVNRx
InChI InChI=1S/C18H17NO4/c20-18(9-3-5-12(6-4-9)19(21)22)23-17-14-8-13(14)15-10-1-2-11(7-10)16(15)17/h1-6,10-11,13-17H,7-8H2/t10-,11+,13-,14+,15+,16+,17-/m1/s1
InChIKey LLWHYBFWCLCLBM-HPAKLTHUSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FjQcYVNLVsp
Name #24;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-3,6-METHANOCYCLOPROPA-[A]-INDENE-2-YL-ESTER
CAS Registry Number 115408-30-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c20-18(9-3-5-12(6-4-9)19(21)22)23-17-14-8-13(14)15-10-1-2-11(7-10)16(15)17/h1-6,10-11,13-17H,7-8H2/t10-,11+,13-,14+,15+,16+,17-/m1/s1
InChIKey LLWHYBFWCLCLBM-HPAKLTHUSA-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 311.337 g/mol
Solvent CDCl3
Source File Reference UWGB1661