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Trans-2-methoxycinnamic acid, heptadecyl ester

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

Trans-2-methoxycinnamic acid, heptadecyl ester
SpectraBase Compound ID 7oCfksmydMT
InChI InChI=1S/C27H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-30-27(28)23-22-25-20-17-18-21-26(25)29-2/h17-18,20-23H,3-16,19,24H2,1-2H3/b23-22+
InChIKey IPPCXHGMHOWNSD-GHVJWSGMSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DK8ShBWCeuv
Name Trans-2-methoxycinnamic acid, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.329045274 u
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-30-27(28)23-22-25-20-17-18-21-26(25)29-2/h17-18,20-23H,3-16,19,24H2,1-2H3/b23-22+
InChIKey IPPCXHGMHOWNSD-GHVJWSGMSA-N
Molecular Weight 416.646 g/mol
SMILES C(OCCCCCCCCCCCCCCCCC)(=O)\C=C\C1=C(OC)C=CC=C1