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Sebacic acid, decyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl pentafluorophenyl ester
SpectraBase Compound ID Ehlm9ZPBVBx
InChI InChI=1S/C26H37F5O4/c1-2-3-4-5-6-9-12-15-18-34-19(32)16-13-10-7-8-11-14-17-20(33)35-26-24(30)22(28)21(27)23(29)25(26)31/h2-18H2,1H3
InChIKey IXRMVCCSYCXOIK-UHFFFAOYSA-N
Mol Weight 508.6 g/mol
Molecular Formula C26H37F5O4
Exact Mass 508.2612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6qXXbm9u2EU
Name Sebacic acid, decyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.261200482 u
Formula C26H37F5O4
InChI InChI=1S/C26H37F5O4/c1-2-3-4-5-6-9-12-15-18-34-19(32)16-13-10-7-8-11-14-17-20(33)35-26-24(30)22(28)21(27)23(29)25(26)31/h2-18H2,1H3
InChIKey IXRMVCCSYCXOIK-UHFFFAOYSA-N
Molecular Weight 508.570 g/mol
SMILES C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CCCCCCCC(OCCCCCCCCCC)=O