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9,12-Octadecadienoic acid (Z,Z)-, phenylmethyl ester

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

9,12-Octadecadienoic acid (Z,Z)-, phenylmethyl ester
SpectraBase Compound ID Dz6ZojQ6A35
InChI InChI=1S/C25H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3/b7-6-,10-9-
InChIKey YDTIDQXHYVFIKB-HZJYTTRNSA-N
Mol Weight 370.6 g/mol
Molecular Formula C25H38O2
Exact Mass 370.28718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mDtx5RcRas
Name 9,12-Octadecadienoic acid (Z,Z)-, phenylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.287180462 u
Formula C25H38O2
InChI InChI=1S/C25H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3/b7-6-,10-9-
InChIKey YDTIDQXHYVFIKB-HZJYTTRNSA-N
Molecular Weight 370.577 g/mol
SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC1=CC=CC=C1