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Hexanoic acid, [3-(hexanoyl-(3-[hexanoyl-(3-hexanoylamino-propyl)-amino]-propyl)-amino)-propyl]-amide
SpectraBase Compound ID GL1Fvrw8rLA
InChI InChI=1S/C33H64N4O4/c1-5-9-13-20-30(38)34-24-17-26-36(32(40)22-15-11-7-3)28-19-29-37(33(41)23-16-12-8-4)27-18-25-35-31(39)21-14-10-6-2/h5-29H2,1-4H3,(H,34,38)(H,35,39)
InChIKey LCCCMIIEBWHYPL-UHFFFAOYSA-N
Mol Weight 580.9 g/mol
Molecular Formula C33H64N4O4
Exact Mass 580.492757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwxfYEtgOXC
Name Hexanoic acid, [3-(hexanoyl-(3-[hexanoyl-(3-hexanoylamino-propyl)-amino]-propyl)-amino)-propyl]-amide
Comments Computed using HOSE algorithm
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Exact Mass 580.492756553 u
Formula C33H64N4O4
InChI InChI=1S/C33H64N4O4/c1-5-9-13-20-30(38)34-24-17-26-36(32(40)22-15-11-7-3)28-19-29-37(33(41)23-16-12-8-4)27-18-25-35-31(39)21-14-10-6-2/h5-29H2,1-4H3,(H,34,38)(H,35,39)
InChIKey LCCCMIIEBWHYPL-UHFFFAOYSA-N
Molecular Weight 580.899 g/mol
SMILES CCCCCC(=O)NCCCN(C(CCCCC)=O)CCCN(C(CCCCC)=O)CCCNC(CCCCC)=O