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Pimelic acid, dodecyl 2-fluorophenyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, dodecyl 2-fluorophenyl ester
SpectraBase Compound ID GcOqZyJbHEX
InChI InChI=1S/C25H39FO4/c1-2-3-4-5-6-7-8-9-10-16-21-29-24(27)19-12-11-13-20-25(28)30-23-18-15-14-17-22(23)26/h14-15,17-18H,2-13,16,19-21H2,1H3
InChIKey QRVREASPMRXWSC-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C25H39FO4
Exact Mass 422.283238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29plKSQZP0k
Name Pimelic acid, dodecyl 2-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.283237895 u
Formula C25H39FO4
InChI InChI=1S/C25H39FO4/c1-2-3-4-5-6-7-8-9-10-16-21-29-24(27)19-12-11-13-20-25(28)30-23-18-15-14-17-22(23)26/h14-15,17-18H,2-13,16,19-21H2,1H3
InChIKey QRVREASPMRXWSC-UHFFFAOYSA-N
Molecular Weight 422.581 g/mol
SMILES C(CCCC(OCCCCCCCCCCCC)=O)CC(OC=1C=CC=CC1F)=O