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Fumaric acid, monoamide, N-benzyl-N-phenylethyl-, octyl ester

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Fumaric acid, monoamide, N-benzyl-N-phenylethyl-, octyl ester
SpectraBase Compound ID oa5XQnTEdM
InChI InChI=1S/C27H35NO3/c1-2-3-4-5-6-13-22-31-27(30)19-18-26(29)28(23-25-16-11-8-12-17-25)21-20-24-14-9-7-10-15-24/h7-12,14-19H,2-6,13,20-23H2,1H3/b19-18+
InChIKey RYTBRGFNMCAEKM-VHEBQXMUSA-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 3g29GCg8fFR
Name Fumaric acid, monoamide, N-benzyl-N-phenylethyl-, octyl 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/c1-2-3-4-5-6-13-22-31-27(30)19-18-26(29)28(23-25-16-11-8-12-17-25)21-20-24-14-9-7-10-15-24/h7-12,14-19H,2-6,13,20-23H2,1H3/b19-18+
InChIKey RYTBRGFNMCAEKM-VHEBQXMUSA-N
Molecular Weight 421.581 g/mol
SMILES C(N(CCC1=CC=CC=C1)CC1=CC=CC=C1)(\C=C\C(OCCCCCCCC)=O)=O