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16-Isoretuline
SpectraBase Compound ID DgLPp6PeSwc
InChI InChI=1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3/b14-3+/t15-,16-,19-,20+,21-/m1/s1
InChIKey IJTKEUDLEABZCZ-ZOHGSLLVSA-N
Mol Weight 338.45 g/mol
Molecular Formula C21H26N2O2
Exact Mass 338.199428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cd2cjuRHCW
Name 16-ISORETULINE
CAS Registry Number 10388-62-2
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O2
InChI InChI=1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3/b14-3+/t15-,16-,19-,20+,21-/m1/s1
InChIKey IJTKEUDLEABZCZ-ZOHGSLLVSA-N
Literature Reference Author E.WENKERT,H.T.A.CHEUNG,H.E.GOTTLIEB,M.C.KOCH,A.RABARON,M.M.P LAT
Literature Reference Citation J.ORG.CHEM.,43,1099(1978)
Literature Reference DOI 10.1021/jo00400a017
Molecular Weight 338.450 g/mol
Solvent CDCl3
Source File Reference UNIW20912