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MAJOR-ROTAMER-A

View entire compound with spectra: 2 NMR

MAJOR-ROTAMER-A
SpectraBase Compound ID E9hvNs0nxfh
InChI InChI=1S/C25H31BrN2O3/c1-4-5-13-27-24(29)23-21-11-6-7-12-22(21)31-20(14-17(2)3)16-28(23)25(30)18-9-8-10-19(26)15-18/h6-12,15,17,20,23H,4-5,13-14,16H2,1-3H3,(H,27,29)
InChIKey WNRGIRGHJPQQFK-UHFFFAOYSA-N
Mol Weight 487.44 g/mol
Molecular Formula C25H31BrN2O3
Exact Mass 486.151806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EmDa8ncOca
Name MINOR-ROTAMER-B
Compound Number 6G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31BrN2O3
InChI InChI=1S/C25H31BrN2O3/c1-4-5-13-27-24(29)23-21-11-6-7-12-22(21)31-20(14-17(2)3)16-28(23)25(30)18-9-8-10-19(26)15-18/h6-12,15,17,20,23H,4-5,13-14,16H2,1-3H3,(H,27,29)
InChIKey WNRGIRGHJPQQFK-UHFFFAOYSA-N
Literature Reference Author L.BANFI,A.BASSO,V.CERULLI,V.ROCCA,R.RIVA
Literature Reference Citation BEIL.J.ORG.CHEM.,7,976(2011)
Literature Reference DOI 10.3762/bjoc.7.109
Molecular Weight 487.437 g/mol
Solvent DMSO-D6
Source File Reference UWBT9832