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POLYCITON-A

View entire compound with spectra: 2 NMR

POLYCITON-A
SpectraBase Compound ID FRiVwp0puYR
InChI InChI=1S/C38H21Br8NO7/c39-21-7-16(8-22(40)35(21)51)29-30(17-9-23(41)36(52)24(42)10-17)32(34(50)19-13-27(45)38(54)28(46)14-19)47(6-5-15-1-3-20(48)4-2-15)31(29)33(49)18-11-25(43)37(53)26(44)12-18/h1-4,7-14,48,51-54H,5-6H2
InChIKey JVGHQJALYAGKAZ-UHFFFAOYSA-N
Mol Weight 1242.8 g/mol
Molecular Formula C38H21Br8NO7
Exact Mass 1234.478506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4X9hASNze6
Name POLYCITON-A
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H21Br8NO7
InChI InChI=1S/C38H21Br8NO7/c39-21-7-16(8-22(40)35(21)51)29-30(17-9-23(41)36(52)24(42)10-17)32(34(50)19-13-27(45)38(54)28(46)14-19)47(6-5-15-1-3-20(48)4-2-15)31(29)33(49)18-11-25(43)37(53)26(44)12-18/h1-4,7-14,48,51-54H,5-6H2
InChIKey JVGHQJALYAGKAZ-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 1242.819 g/mol
Solvent DMSO-D6
Source File Reference UWCP4926