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Fumaric acid, monoamide, N-undecyl-, isohexyl ester

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Fumaric acid, monoamide, N-undecyl-, isohexyl ester
SpectraBase Compound ID 4wa8GNiM8yG
InChI InChI=1S/C21H39NO3/c1-4-5-6-7-8-9-10-11-12-17-22-20(23)15-16-21(24)25-18-13-14-19(2)3/h15-16,19H,4-14,17-18H2,1-3H3,(H,22,23)/b16-15+
InChIKey CPDQNLYIMXJORQ-FOCLMDBBSA-N
Mol Weight 353.5 g/mol
Molecular Formula C21H39NO3
Exact Mass 353.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7V7YM69b4gh
Name Fumaric acid, monoamide, N-undecyl-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.292994117 u
Formula C21H39NO3
InChI InChI=1S/C21H39NO3/c1-4-5-6-7-8-9-10-11-12-17-22-20(23)15-16-21(24)25-18-13-14-19(2)3/h15-16,19H,4-14,17-18H2,1-3H3,(H,22,23)/b16-15+
InChIKey CPDQNLYIMXJORQ-FOCLMDBBSA-N
Molecular Weight 353.547 g/mol
SMILES C(CCNC(\C=C\C(OCCCC(C)C)=O)=O)CCCCCCCC