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MAJOR-ROTAMER-A

View entire compound with spectra: 2 NMR

MAJOR-ROTAMER-A
SpectraBase Compound ID Kc4rO3oggMr
InChI InChI=1S/C29H39N3O5/c1-4-5-16-30-28(34)27-24-13-9-10-14-25(24)37-23(18-21(2)3)19-32(27)26(33)15-17-31-29(35)36-20-22-11-7-6-8-12-22/h6-14,21,23,27H,4-5,15-20H2,1-3H3,(H,30,34)(H,31,35)
InChIKey JHKFNBCJNWFROZ-UHFFFAOYSA-N
Mol Weight 509.6 g/mol
Molecular Formula C29H39N3O5
Exact Mass 509.288971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1MjWQInAVU
Name MAJOR-ROTAMER-A
Compound Number 6I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H39N3O5
InChI InChI=1S/C29H39N3O5/c1-4-5-16-30-28(34)27-24-13-9-10-14-25(24)37-23(18-21(2)3)19-32(27)26(33)15-17-31-29(35)36-20-22-11-7-6-8-12-22/h6-14,21,23,27H,4-5,15-20H2,1-3H3,(H,30,34)(H,31,35)
InChIKey JHKFNBCJNWFROZ-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 509.646 g/mol
Solvent DMSO-D6
Source File Reference UWBT9834