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2,5-ANHYDRO-3,4,6-TRI-O-BENZOYL-D-ALLONONITRILE
SpectraBase Compound ID IpRakpagOx1
InChI InChI=1S/C27H21NO7/c28-16-21-23(34-26(30)19-12-6-2-7-13-19)24(35-27(31)20-14-8-3-9-15-20)22(33-21)17-32-25(29)18-10-4-1-5-11-18/h1-15,21-24H,17H2/t21-,22+,23-,24+/m0/s1
InChIKey OFMYTVNDIRTGMR-UARRHKHWSA-N
Mol Weight 471.47 g/mol
Molecular Formula C27H21NO7
Exact Mass 471.131802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAG9qm6QecR
Name 2,5-ANHYDRO-3,4,6-TRI-O-BENZOYL-D-ALLONONITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H21NO7
InChI InChI=1S/C27H21NO7/c28-16-21-23(34-26(30)19-12-6-2-7-13-19)24(35-27(31)20-14-8-3-9-15-20)22(33-21)17-32-25(29)18-10-4-1-5-11-18/h1-15,21-24H,17H2/t21-,22+,23-,24+/m0/s1
InChIKey OFMYTVNDIRTGMR-UARRHKHWSA-N
Literature Reference Author P.J.DUDFIELD,V.D.LE,S.D.LINDELL,C.W.REES
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2937(1999)
Literature Reference DOI 10.1039/a905177e
Molecular Weight 471.466 g/mol
Solvent CDCl3
Source File Reference UWRU8800