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Sebacic acid, decyl 2,5-difluorobenzyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 2,5-difluorobenzyl ester
SpectraBase Compound ID 4IsdtWSrRa4
InChI InChI=1S/C27H42F2O4/c1-2-3-4-5-6-9-12-15-20-32-26(30)16-13-10-7-8-11-14-17-27(31)33-22-23-21-24(28)18-19-25(23)29/h18-19,21H,2-17,20,22H2,1H3
InChIKey USCHMZXOLCYMLW-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C27H42F2O4
Exact Mass 468.305116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASRCgHnSo2q
Name Sebacic acid, decyl 2,5-difluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.305116154 u
Formula C27H42F2O4
InChI InChI=1S/C27H42F2O4/c1-2-3-4-5-6-9-12-15-20-32-26(30)16-13-10-7-8-11-14-17-27(31)33-22-23-21-24(28)18-19-25(23)29/h18-19,21H,2-17,20,22H2,1H3
InChIKey USCHMZXOLCYMLW-UHFFFAOYSA-N
Molecular Weight 468.626 g/mol
SMILES C(CCCCCCC(OCCCCCCCCCC)=O)CC(OCC=1C(F)=CC=C(F)C1)=O