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Glutaric acid, 6-ethyloct-3-yl hexadecyl ester
SpectraBase Compound ID EHagx2LdlHA
InChI InChI=1S/C31H60O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-27-34-30(32)23-22-24-31(33)35-29(8-4)26-25-28(6-2)7-3/h28-29H,5-27H2,1-4H3
InChIKey UWMHLNVDYRDOQU-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C31H60O4
Exact Mass 496.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyC8ATkchZb
Name Glutaric acid, 6-ethyloct-3-yl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.449160408 u
Formula C31H60O4
InChI InChI=1S/C31H60O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-27-34-30(32)23-22-24-31(33)35-29(8-4)26-25-28(6-2)7-3/h28-29H,5-27H2,1-4H3
InChIKey UWMHLNVDYRDOQU-UHFFFAOYSA-N
Molecular Weight 496.817 g/mol
SMILES CCC(OC(=O)CCCC(OCCCCCCCCCCCCCCCC)=O)CCC(CC)CC