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Fumaric acid, dec-4-enyl octadecyl ester

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Fumaric acid, dec-4-enyl octadecyl ester
SpectraBase Compound ID 90ebFYSQlTn
InChI InChI=1S/C32H58O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30-36-32(34)28-27-31(33)35-29-25-23-21-12-10-8-6-4-2/h12,21,27-28H,3-11,13-20,22-26,29-30H2,1-2H3/b21-12+,28-27+
InChIKey KHIDZLVZWLMZTJ-KQHZTYPXSA-N
Mol Weight 506.8 g/mol
Molecular Formula C32H58O4
Exact Mass 506.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J0s4CxZ0G8c
Name Fumaric acid, dec-4-enyl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.433510344 u
Formula C32H58O4
InChI InChI=1S/C32H58O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30-36-32(34)28-27-31(33)35-29-25-23-21-12-10-8-6-4-2/h12,21,27-28H,3-11,13-20,22-26,29-30H2,1-2H3/b21-12+,28-27+
InChIKey KHIDZLVZWLMZTJ-KQHZTYPXSA-N
Molecular Weight 506.812 g/mol
SMILES C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)=O