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Fumaric acid, dodecyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, dodecyl 3-phenylpropyl ester
SpectraBase Compound ID F1Bov2lrkdg
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)19-20-25(27)29-22-15-18-23-16-12-11-13-17-23/h11-13,16-17,19-20H,2-10,14-15,18,21-22H2,1H3/b20-19+
InChIKey USNHEMDMTFRHHS-FMQUCBEESA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMyuGqynDFL
Name Fumaric acid, dodecyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)19-20-25(27)29-22-15-18-23-16-12-11-13-17-23/h11-13,16-17,19-20H,2-10,14-15,18,21-22H2,1H3/b20-19+
InChIKey USNHEMDMTFRHHS-FMQUCBEESA-N
Molecular Weight 402.575 g/mol
SMILES C(CCOC(\C=C\C(OCCCC1=CC=CC=C1)=O)=O)CCCCCCCCC