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

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Carbonic acid, monoamide, N-(2-pentyl)-N-octadecyl-, 3-chloropropyl ester
SpectraBase Compound ID IKkSUHgT6Km
InChI InChI=1S/C27H54ClNO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(26(3)22-5-2)27(30)31-25-21-23-28/h26H,4-25H2,1-3H3
InChIKey PCMRHHXRYQEKIJ-UHFFFAOYSA-N
Mol Weight 460.2 g/mol
Molecular Formula C27H54ClNO2
Exact Mass 459.384308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7eeHRQY9vj
Name Carbonic acid, monoamide, N-(2-pentyl)-N-octadecyl-, 3-chloropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 459.384307681 u
Formula C27H54ClNO2
InChI InChI=1S/C27H54ClNO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(26(3)22-5-2)27(30)31-25-21-23-28/h26H,4-25H2,1-3H3
InChIKey PCMRHHXRYQEKIJ-UHFFFAOYSA-N
Molecular Weight 460.187 g/mol
SMILES CCCC(C)N(C(OCCCCl)=O)CCCCCCCCCCCCCCCCCC