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Fumaric acid, monoamide, N-(3,4-dimethylphenyl)-, isohexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(3,4-dimethylphenyl)-, isohexyl ester
SpectraBase Compound ID 2f8Vwc0aOBN
InChI InChI=1S/C18H25NO3/c1-13(2)6-5-11-22-18(21)10-9-17(20)19-16-8-7-14(3)15(4)12-16/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,20)/b10-9+
InChIKey NBTQASXRHDWRHY-MDZDMXLPSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bb11vXHVz6B
Name Fumaric acid, monoamide, N-(3,4-dimethylphenyl)-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.183443666 u
Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-13(2)6-5-11-22-18(21)10-9-17(20)19-16-8-7-14(3)15(4)12-16/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,20)/b10-9+
InChIKey NBTQASXRHDWRHY-MDZDMXLPSA-N
Molecular Weight 303.402 g/mol
SMILES C(\C=C\C(OCCCC(C)C)=O)(NC1=CC=C(C(=C1)C)C)=O