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Fumaric acid, 2-methylpentyl tridec-2-yn-1-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-methylpentyl tridec-2-yn-1-yl ester
SpectraBase Compound ID 7uIox01xcAI
InChI InChI=1S/C23H38O4/c1-4-6-7-8-9-10-11-12-13-14-15-19-26-22(24)17-18-23(25)27-20-21(3)16-5-2/h17-18,21H,4-13,16,19-20H2,1-3H3/b18-17+
InChIKey WGEGKZKCWIOURO-ISLYRVAYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C23H38O4
Exact Mass 378.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xfOfG4gIO1
Name Fumaric acid, 2-methylpentyl tridec-2-yn-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.277009700 u
Formula C23H38O4
InChI InChI=1S/C23H38O4/c1-4-6-7-8-9-10-11-12-13-14-15-19-26-22(24)17-18-23(25)27-20-21(3)16-5-2/h17-18,21H,4-13,16,19-20H2,1-3H3/b18-17+
InChIKey WGEGKZKCWIOURO-ISLYRVAYSA-N
Molecular Weight 378.553 g/mol
SMILES C(\C=C\C(OCC#CCCCCCCCCCC)=O)(OCC(C)CCC)=O