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Fumaric acid, monoamide, N-dodecyl-, isohexyl ester
SpectraBase Compound ID JBwWWNRYW9E
InChI InChI=1S/C22H41NO3/c1-4-5-6-7-8-9-10-11-12-13-18-23-21(24)16-17-22(25)26-19-14-15-20(2)3/h16-17,20H,4-15,18-19H2,1-3H3,(H,23,24)/b17-16+
InChIKey FOSQTFYJHLJZDY-WUKNDPDISA-N
Mol Weight 367.6 g/mol
Molecular Formula C22H41NO3
Exact Mass 367.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HmFxqmBCZMg
Name Fumaric acid, monoamide, N-dodecyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 367.308644181 u
Formula C22H41NO3
InChI InChI=1S/C22H41NO3/c1-4-5-6-7-8-9-10-11-12-13-18-23-21(24)16-17-22(25)26-19-14-15-20(2)3/h16-17,20H,4-15,18-19H2,1-3H3,(H,23,24)/b17-16+
InChIKey FOSQTFYJHLJZDY-WUKNDPDISA-N
Molecular Weight 367.574 g/mol
SMILES C(CCCCNC(\C=C\C(OCCCC(C)C)=O)=O)CCCCCCC