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Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-ethylhexyl ester
SpectraBase Compound ID 9qA0saAV7Rc
InChI InChI=1S/C27H35NO3/c1-3-5-12-23(4-2)22-31-27(30)18-17-26(29)28(21-25-15-10-7-11-16-25)20-19-24-13-8-6-9-14-24/h6-11,13-18,23H,3-5,12,19-22H2,1-2H3/b18-17+
InChIKey IQIQNWWAYNDDFW-ISLYRVAYSA-N
Mol Weight 421.6 g/mol
Molecular Formula C27H35NO3
Exact Mass 421.261694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KAGY3Rlhits
Name Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.261693988 u
Formula C27H35NO3
InChI InChI=1S/C27H35NO3/c1-3-5-12-23(4-2)22-31-27(30)18-17-26(29)28(21-25-15-10-7-11-16-25)20-19-24-13-8-6-9-14-24/h6-11,13-18,23H,3-5,12,19-22H2,1-2H3/b18-17+
InChIKey IQIQNWWAYNDDFW-ISLYRVAYSA-N
Molecular Weight 421.581 g/mol
SMILES C(C(COC(=O)\C=C\C(=O)N(CC1=CC=CC=C1)CCC1=CC=CC=C1)CC)CCC