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

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-methoxybenzyl ester
SpectraBase Compound ID DARv1WP7ZV
InChI InChI=1S/C17H16F8O5/c1-28-11-4-2-10(3-5-11)8-29-12(26)6-7-13(27)30-9-15(20,21)17(24,25)16(22,23)14(18)19/h2-5,14H,6-9H2,1H3
InChIKey UDQBJXNTIZQJHG-UHFFFAOYSA-N
Mol Weight 452.3 g/mol
Molecular Formula C17H16F8O5
Exact Mass 452.086999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hcT5oVb2iM
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-methoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.086998914 u
Formula C17H16F8O5
InChI InChI=1S/C17H16F8O5/c1-28-11-4-2-10(3-5-11)8-29-12(26)6-7-13(27)30-9-15(20,21)17(24,25)16(22,23)14(18)19/h2-5,14H,6-9H2,1H3
InChIKey UDQBJXNTIZQJHG-UHFFFAOYSA-N
Molecular Weight 452.297 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC1=CC=C(C=C1)OC)=O