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16-(E-coumaroyloxy)-palmitic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

16-(E-coumaroyloxy)-palmitic acid
SpectraBase Compound ID KCn0btSYSb2
InChI InChI=1S/C25H38O5/c26-23-18-15-22(16-19-23)17-20-25(29)30-21-13-11-9-7-5-3-1-2-4-6-8-10-12-14-24(27)28/h15-20,26H,1-14,21H2,(H,27,28)/b20-17+
InChIKey IZLJZZQDIZKMMG-LVZFUZTISA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3fOPCBZgqf
Name 16-(E-Coumaroyloxy)-palmitic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.271924319 u
Formula C25H38O5
InChI InChI=1S/C25H38O5/c26-23-18-15-22(16-19-23)17-20-25(29)30-21-13-11-9-7-5-3-1-2-4-6-8-10-12-14-24(27)28/h15-20,26H,1-14,21H2,(H,27,28)/b20-17+
InChIKey IZLJZZQDIZKMMG-LVZFUZTISA-N
Molecular Weight 418.574 g/mol
SMILES C1(\C=C\C(=O)OCCCCCCCCCCCCCCCC(O)=O)=CC=C(C=C1)O