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TERT.-BUTYL_(3S)-(E,E,E)-3-(N-OCTA-2',4',6'-TRIENOYL)-AMINO-3-PHENYLPROPIONATE
SpectraBase Compound ID 5a48EiE8yPf
InChI InChI=1S/C21H27NO3/c1-5-6-7-8-12-15-19(23)22-18(17-13-10-9-11-14-17)16-20(24)25-21(2,3)4/h5-15,18H,16H2,1-4H3,(H,22,23)/b6-5+,8-7+,15-12+/t18-/m1/s1
InChIKey YUSQAGHGTRJVQH-NTVLLENNSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ztjfkeo16P
Name TERT.-BUTYL_(3S)-(E,E,E)-3-(N-OCTA-2',4',6'-TRIENOYL)-AMINO-3-PHENYLPROPIONATE
Compound Number (3S)-(E,E,E)-27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-5-6-7-8-12-15-19(23)22-18(17-13-10-9-11-14-17)16-20(24)25-21(2,3)4/h5-15,18H,16H2,1-4H3,(H,22,23)/b6-5+,8-7+,15-12+/t18-/m1/s1
InChIKey YUSQAGHGTRJVQH-NTVLLENNSA-N
Literature Reference Author S.G.DAVIES,D.J.DIXON
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2635(1998)
Literature Reference DOI 10.1039/a804662j
Molecular Weight 341.450 g/mol
Solvent CHCl3
Source File Reference UWMZ3469