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SMENAMIDE-A;(E)-CONFORMER

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SMENAMIDE-A;(E)-CONFORMER
SpectraBase Compound ID 413IxHBbl1K
InChI InChI=1S/C28H37ClN2O4/c1-20(13-14-24(19-29)12-9-15-30(4)22(3)32)16-21(2)28(34)31-25(26(35-5)18-27(31)33)17-23-10-7-6-8-11-23/h6-8,10-11,16,18-20,25H,9,12-15,17H2,1-5H3/b21-16+,24-19+
InChIKey XJGQYXLPKXLNRM-LHAZJVNNSA-N
Mol Weight 501.1 g/mol
Molecular Formula C28H37ClN2O4
Exact Mass 500.244185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wRKihsq6NX
Name SMENAMIDE-A;(Z)-CONFORMER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H37ClN2O4
InChI InChI=1S/C28H37ClN2O4/c1-20(13-14-24(19-29)12-9-15-30(4)22(3)32)16-21(2)28(34)31-25(26(35-5)18-27(31)33)17-23-10-7-6-8-11-23/h6-8,10-11,16,18-20,25H,9,12-15,17H2,1-5H3/b21-16+,24-19+
InChIKey XJGQYXLPKXLNRM-LHAZJVNNSA-N
Literature Reference Author R.TETA,E.IROLLO,G.D.SALA,G.PIROZZI,A.MANGONI,V.COSTANTINO
Literature Reference Citation MAR.DRUGS,11,4451(2013)
Literature Reference DOI 10.3390/md11114451
Molecular Weight 501.066 g/mol
Source File Reference UWBT6601