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(3S)-(E,E,E)-3-(N-OCTA-2',4',6'-TRIENOYL)-AMINO-3-PHENYLPROPIONIC_ACID
SpectraBase Compound ID 73r1x0qIDsc
InChI InChI=1S/C17H19NO3/c1-2-3-4-5-9-12-16(19)18-15(13-17(20)21)14-10-7-6-8-11-14/h2-12,15H,13H2,1H3,(H,18,19)(H,20,21)/b3-2+,5-4+,12-9+/t15-/m0/s1
InChIKey QOUZNKNYXDVAOK-QNIMBLPESA-N
Mol Weight 285.34 g/mol
Molecular Formula C17H19NO3
Exact Mass 285.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GBUJDzXp5Mh
Name (3S)-(E,E,E)-3-(N-OCTA-2',4',6'-TRIENOYL)-AMINO-3-PHENYLPROPIONIC_ACID
Compound Number (3S)-(E,E,E)-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19NO3
InChI InChI=1S/C17H19NO3/c1-2-3-4-5-9-12-16(19)18-15(13-17(20)21)14-10-7-6-8-11-14/h2-12,15H,13H2,1H3,(H,18,19)(H,20,21)/b3-2+,5-4+,12-9+/t15-/m0/s1
InChIKey QOUZNKNYXDVAOK-QNIMBLPESA-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 285.343 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3471