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POLYCITRIN-A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

POLYCITRIN-A
SpectraBase Compound ID J3yREW7t1EJ
InChI InChI=1S/C24H15Br4NO5/c25-15-7-12(8-16(26)21(15)31)19-20(13-9-17(27)22(32)18(28)10-13)24(34)29(23(19)33)6-5-11-1-3-14(30)4-2-11/h1-4,7-10,30-32H,5-6H2
InChIKey RKNTTXIUBNRVNB-UHFFFAOYSA-N
Mol Weight 717.0 g/mol
Molecular Formula C24H15Br4NO5
Exact Mass 712.768375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9EzLgS3mN7
Name POLYCITRIN-A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H15Br4NO5
InChI InChI=1S/C24H15Br4NO5/c25-15-7-12(8-16(26)21(15)31)19-20(13-9-17(27)22(32)18(28)10-13)24(34)29(23(19)33)6-5-11-1-3-14(30)4-2-11/h1-4,7-10,30-32H,5-6H2
InChIKey RKNTTXIUBNRVNB-UHFFFAOYSA-N
Literature Reference Author A.RUDI,I.GOLDBERG,Z.STEIN,F.FROLOW,Y.BENAYAHU,M.SCHLEYER,Y.K ASHMAN
Literature Reference Citation J.ORG.CHEM.,59,999(1994)
Literature Reference DOI 10.1021/jo00084a015
Molecular Weight 717.003 g/mol
Solvent CDCl3
Source File Reference UWCP4929