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Carbonic acid, monoamide, N-(2-pentyl)-N-hexadecyl-, 3-chloropropyl ester

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Carbonic acid, monoamide, N-(2-pentyl)-N-hexadecyl-, 3-chloropropyl ester
SpectraBase Compound ID 3KWdg7Uy0j8
InChI InChI=1S/C25H50ClNO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27(24(3)20-5-2)25(28)29-23-19-21-26/h24H,4-23H2,1-3H3
InChIKey MALDJEXZUUMFHP-UHFFFAOYSA-N
Mol Weight 432.1 g/mol
Molecular Formula C25H50ClNO2
Exact Mass 431.353008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OOgDDnLm1G
Name Carbonic acid, monoamide, N-(2-pentyl)-N-hexadecyl-, 3-chloropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.353007552 u
Formula C25H50ClNO2
InChI InChI=1S/C25H50ClNO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27(24(3)20-5-2)25(28)29-23-19-21-26/h24H,4-23H2,1-3H3
InChIKey MALDJEXZUUMFHP-UHFFFAOYSA-N
Molecular Weight 432.133 g/mol
SMILES CCCC(C)N(C(OCCCCl)=O)CCCCCCCCCCCCCCCC