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Fumaric acid, 2-isopropoxyphenyl nonyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-isopropoxyphenyl nonyl ester
SpectraBase Compound ID FNDlM3IahBL
InChI InChI=1S/C22H32O5/c1-4-5-6-7-8-9-12-17-25-21(23)15-16-22(24)27-20-14-11-10-13-19(20)26-18(2)3/h10-11,13-16,18H,4-9,12,17H2,1-3H3/b16-15+
InChIKey KAZPJQBERSPYFP-FOCLMDBBSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bk4mfKDVpX
Name Fumaric acid, 2-isopropoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.224974125 u
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-4-5-6-7-8-9-12-17-25-21(23)15-16-22(24)27-20-14-11-10-13-19(20)26-18(2)3/h10-11,13-16,18H,4-9,12,17H2,1-3H3/b16-15+
InChIKey KAZPJQBERSPYFP-FOCLMDBBSA-N
Molecular Weight 376.493 g/mol
SMILES C(\C=C\C(OC1=C(C=CC=C1)OC(C)C)=O)(OCCCCCCCCC)=O