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(E)-3-methyl-5-(4-morpholinyl)-5-phenyl-4-pentenoic acid tert-butyl ester

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

(E)-3-methyl-5-(4-morpholinyl)-5-phenyl-4-pentenoic acid tert-butyl ester
SpectraBase Compound ID 6twJ9XOpkeK
InChI InChI=1S/C20H29NO3/c1-16(15-19(22)24-20(2,3)4)14-18(17-8-6-5-7-9-17)21-10-12-23-13-11-21/h5-9,14,16H,10-13,15H2,1-4H3/b18-14+
InChIKey HRWKOHDADHGXOH-NBVRZTHBSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A31I6Cd2Wx1
Name (E)-3-Methyl-5-(4-morpholinyl)-5-phenyl-4-pentenoic acid tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.214743795 u
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-16(15-19(22)24-20(2,3)4)14-18(17-8-6-5-7-9-17)21-10-12-23-13-11-21/h5-9,14,16H,10-13,15H2,1-4H3/b18-14+
InChIKey HRWKOHDADHGXOH-NBVRZTHBSA-N
Molecular Weight 331.456 g/mol
SMILES C(CC(\C=C/(C=1C=CC=CC1)N1CCOCC1)C)(=O)OC(C)(C)C