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Fumaric acid, hexyl 2-methylpent-3-yl ester
SpectraBase Compound ID C3hQU4qs7Sa
InChI InChI=1S/C16H28O4/c1-5-7-8-9-12-19-15(17)10-11-16(18)20-14(6-2)13(3)4/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+
InChIKey UGBBKANQDQDHTL-ZHACJKMWSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDo5pCcFfl5
Name Fumaric acid, hexyl 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-5-7-8-9-12-19-15(17)10-11-16(18)20-14(6-2)13(3)4/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+
InChIKey UGBBKANQDQDHTL-ZHACJKMWSA-N
SMILES C(OC(CC)C(C)C)(\C=C\C(OCCCCCC)=O)=O