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Fumaric acid, hexadecyl octyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, hexadecyl octyl ester
SpectraBase Compound ID 7810aBKhP8R
InChI InChI=1S/C28H52O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-26-32-28(30)24-23-27(29)31-25-21-19-10-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3/b24-23+
InChIKey PTJGVFKDTLLBKM-WCWDXBQESA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2idNaH8P0R
Name Fumaric acid, hexadecyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-26-32-28(30)24-23-27(29)31-25-21-19-10-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3/b24-23+
InChIKey PTJGVFKDTLLBKM-WCWDXBQESA-N
Molecular Weight 452.720 g/mol
SMILES C(CCCCOC(\C=C\C(OCCCCCCCC)=O)=O)CCCCCCCCCCC