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MAJOR-ROTAMER-A

View entire compound with spectra: 2 NMR

MAJOR-ROTAMER-A
SpectraBase Compound ID bzJEZ6ipEv
InChI InChI=1S/C25H31N3O5/c1-17-16-28(21(29)15-27-24(31)33-25(2,3)4)22(19-12-8-9-13-20(19)32-17)23(30)26-14-18-10-6-5-7-11-18/h5-13,17,22H,14-16H2,1-4H3,(H,26,30)(H,27,31)
InChIKey WIIQPBLCGNNGHI-UHFFFAOYSA-N
Mol Weight 453.54 g/mol
Molecular Formula C25H31N3O5
Exact Mass 453.226371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dnkwck8X98r
Name MINOR-ROTAMER-B
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31N3O5
InChI InChI=1S/C25H31N3O5/c1-17-16-28(21(29)15-27-24(31)33-25(2,3)4)22(19-12-8-9-13-20(19)32-17)23(30)26-14-18-10-6-5-7-11-18/h5-13,17,22H,14-16H2,1-4H3,(H,26,30)(H,27,31)
InChIKey WIIQPBLCGNNGHI-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 453.538 g/mol
Solvent DMSO-D6
Source File Reference UWBT9824