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Succinic acid, hexyl 1-(pentafluorophenyl)ethyl ester

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Succinic acid, hexyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID KxBb5PUn37N
InChI InChI=1S/C18H21F5O4/c1-3-4-5-6-9-26-11(24)7-8-12(25)27-10(2)13-14(19)16(21)18(23)17(22)15(13)20/h10H,3-9H2,1-2H3
InChIKey VNCNFHUJAUCFDH-UHFFFAOYSA-N
Mol Weight 396.35 g/mol
Molecular Formula C18H21F5O4
Exact Mass 396.136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KoZXol9wH5I
Name Succinic acid, hexyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.135999967 u
Formula C18H21F5O4
InChI InChI=1S/C18H21F5O4/c1-3-4-5-6-9-26-11(24)7-8-12(25)27-10(2)13-14(19)16(21)18(23)17(22)15(13)20/h10H,3-9H2,1-2H3
InChIKey VNCNFHUJAUCFDH-UHFFFAOYSA-N
Molecular Weight 396.354 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(OC(=O)CCC(OCCCCCC)=O)C)F)F)F