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N,N'-bis(trifluoroacetyl)-N,N'-ethylene-bis(stearamide)
SpectraBase Compound ID L13evbHqpm2
InChI InChI=1S/C42H72F6N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(51)49(39(53)41(43,44)45)35-36-50(40(54)42(46,47)48)38(52)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3/b36-35+
InChIKey OEAFNRUXYTXLQA-ULDVOPSXSA-N
Mol Weight 783.0 g/mol
Molecular Formula C42H72F6N2O4
Exact Mass 782.539628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DE9u03J1YYM
Name N,N'-bis(Trifluoroacetyl)-N,N'-ethylene-bis(stearamide)
Comments Computed using HOSE algorithm
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Exact Mass 782.539627780 u
Formula C42H72F6N2O4
InChI InChI=1S/C42H72F6N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(51)49(39(53)41(43,44)45)35-36-50(40(54)42(46,47)48)38(52)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3/b36-35+
InChIKey OEAFNRUXYTXLQA-ULDVOPSXSA-N
Molecular Weight 783.038 g/mol
SMILES C(N(\C=C\N(C(C(F)(F)F)=O)C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC)(C(F)(F)F)=O