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Sebacic acid, decyl 3-fluorophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 3-fluorophenyl ester
SpectraBase Compound ID 3p7GltJCdNZ
InChI InChI=1S/C26H41FO4/c1-2-3-4-5-6-9-12-15-21-30-25(28)19-13-10-7-8-11-14-20-26(29)31-24-18-16-17-23(27)22-24/h16-18,22H,2-15,19-21H2,1H3
InChIKey JHZCLLHEBWZGKM-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H41FO4
Exact Mass 436.298888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHIM1uO2Crv
Name Sebacic acid, decyl 3-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.298887959 u
Formula C26H41FO4
InChI InChI=1S/C26H41FO4/c1-2-3-4-5-6-9-12-15-21-30-25(28)19-13-10-7-8-11-14-20-26(29)31-24-18-16-17-23(27)22-24/h16-18,22H,2-15,19-21H2,1H3
InChIKey JHZCLLHEBWZGKM-UHFFFAOYSA-N
Molecular Weight 436.608 g/mol
SMILES C(C(OC1=CC(=CC=C1)F)=O)CCCCCCCC(OCCCCCCCCCC)=O