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Glutaric acid, 1,1,1-trifluoroprop-2-yl hexadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 1,1,1-trifluoroprop-2-yl hexadecyl ester
SpectraBase Compound ID BwPGkdA2g62
InChI InChI=1S/C24H43F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-22(28)18-17-19-23(29)31-21(2)24(25,26)27/h21H,3-20H2,1-2H3
InChIKey NDRWRBCTPXMLKF-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C24H43F3O4
Exact Mass 452.311344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EpnxDerE691
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.311344350 u
Formula C24H43F3O4
InChI InChI=1S/C24H43F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-22(28)18-17-19-23(29)31-21(2)24(25,26)27/h21H,3-20H2,1-2H3
InChIKey NDRWRBCTPXMLKF-UHFFFAOYSA-N
Molecular Weight 452.599 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OCCCCCCCCCCCCCCCC)=O