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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methylphenyl ester

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methylphenyl ester
SpectraBase Compound ID Lmzzqu4EmMi
InChI InChI=1S/C16H14F8O4/c1-9-4-2-3-5-10(9)28-12(26)7-6-11(25)27-8-14(19,20)16(23,24)15(21,22)13(17)18/h2-5,13H,6-8H2,1H3
InChIKey LXPJDCNVHPKEON-UHFFFAOYSA-N
Mol Weight 422.27 g/mol
Molecular Formula C16H14F8O4
Exact Mass 422.076434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LoaF75VO0UE
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.076434231 u
Formula C16H14F8O4
InChI InChI=1S/C16H14F8O4/c1-9-4-2-3-5-10(9)28-12(26)7-6-11(25)27-8-14(19,20)16(23,24)15(21,22)13(17)18/h2-5,13H,6-8H2,1H3
InChIKey LXPJDCNVHPKEON-UHFFFAOYSA-N
Molecular Weight 422.271 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC=1C(C)=CC=CC1)=O