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WPTGQYCCXLCVKS-BFFRAMDSSA-N
SpectraBase Compound ID 7xCb0JEtSdC
InChI InChI=1S/C27H30BrN3/c1-19-6-14-23(15-7-19)29-26-30(27(3,4)5)18-25(21-10-12-22(28)13-11-21)31(26)24-16-8-20(2)9-17-24/h6-17,25H,18H2,1-5H3/b29-26+/t25-/m1/s1
InChIKey WPTGQYCCXLCVKS-BFFRAMDSSA-N
Mol Weight 476.46 g/mol
Molecular Formula C27H30BrN3
Exact Mass 475.162311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4HpHoE8sXxL
Name WPTGQYCCXLCVKS-BFFRAMDSSA-N
CAS Registry Number 136912-62-4
Compound Number 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30BrN3
InChI InChI=1S/C27H30BrN3/c1-19-6-14-23(15-7-19)29-26-30(27(3,4)5)18-25(21-10-12-22(28)13-11-21)31(26)24-16-8-20(2)9-17-24/h6-17,25H,18H2,1-5H3/b29-26+/t25-/m1/s1
InChIKey WPTGQYCCXLCVKS-BFFRAMDSSA-N
Literature Reference Author J.O.BAEG,H.ALPER
Literature Reference Citation J.ORG.CHEM.,57,157(1992)
Literature Reference DOI 10.1021/jo00027a030
Molecular Weight 476.459 g/mol
Solvent Unknown
Source File Reference UWCS2570