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Carbonic acid, monoamide, N-propyl-N-octadecyl-, 3-chloropropyl ester

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Carbonic acid, monoamide, N-propyl-N-octadecyl-, 3-chloropropyl ester
SpectraBase Compound ID 5At9WUkaUdU
InChI InChI=1S/C25H50ClNO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27(22-4-2)25(28)29-24-20-21-26/h3-24H2,1-2H3
InChIKey ISRHKRZGNLGELK-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 FhzDoa4RGTD
Name Carbonic acid, monoamide, N-propyl-N-octadecyl-, 3-chloropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.353007552 u
Formula C25H50ClNO2
InChI InChI=1S/C25H50ClNO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27(22-4-2)25(28)29-24-20-21-26/h3-24H2,1-2H3
InChIKey ISRHKRZGNLGELK-UHFFFAOYSA-N
Molecular Weight 432.133 g/mol
SMILES C(=O)(OCCCCl)N(CCC)CCCCCCCCCCCCCCCCCC