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MAJOR-ISOMER

View entire compound with spectra: 2 NMR, and 1 MS (GC)

MAJOR-ISOMER
SpectraBase Compound ID 89jMis6kxuQ
InChI InChI=1S/C25H31NO3/c1-24(2,3)22-18-29-25(26(22)23(27)20-12-8-5-9-13-20)15-14-21(16-25)28-17-19-10-6-4-7-11-19/h4-13,21-22H,14-18H2,1-3H3/t21-,22+,25?/m1/s1
InChIKey HKCCUDZQORHSQT-RTIVMORXSA-N
Mol Weight 393.53 g/mol
Molecular Formula C25H31NO3
Exact Mass 393.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEWbtn1JJ8J
Name MAJOR-ISOMER
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31NO3
InChI InChI=1S/C25H31NO3/c1-24(2,3)22-18-29-25(26(22)23(27)20-12-8-5-9-13-20)15-14-21(16-25)28-17-19-10-6-4-7-11-19/h4-13,21-22H,14-18H2,1-3H3/t21-,22+,25?/m1/s1
InChIKey HKCCUDZQORHSQT-RTIVMORXSA-N
Literature Reference Author D.F.MUENZER,H.GRIEGL,A.MOUMTZI,R.SAF,T.TERZANI,A.D.RAADT
Literature Reference Citation EUR.J.ORG.CHEM.,793(2005)
Molecular Weight 393.526 g/mol
Sample ID 42349
Solvent CDCl3