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6,13-Dibenzoyloxy-tetradeca-2,4,8-trienal

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

6,13-Dibenzoyloxy-tetradeca-2,4,8-trienal
SpectraBase Compound ID 7pgGcPSA8dz
InChI InChI=1S/C28H30O5/c1-23(32-27(30)24-16-8-4-9-17-24)15-7-2-3-12-20-26(21-13-6-14-22-29)33-28(31)25-18-10-5-11-19-25/h3-6,8-14,16-19,21-23,26H,2,7,15,20H2,1H3/b12-3+,14-6+,21-13+/t23?,26-/m1/s1
InChIKey FRBFPXWKQCQYMN-WKYRYOBDSA-N
Mol Weight 446.54 g/mol
Molecular Formula C28H30O5
Exact Mass 446.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lo90ddidjAl
Name 6,13-Dibenzoyloxy-tetradeca-2,4,8-trienal
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.209324061 u
Formula C28H30O5
InChI InChI=1S/C28H30O5/c1-23(32-27(30)24-16-8-4-9-17-24)15-7-2-3-12-20-26(21-13-6-14-22-29)33-28(31)25-18-10-5-11-19-25/h3-6,8-14,16-19,21-23,26H,2,7,15,20H2,1H3/b12-3+,14-6+,21-13+/t23?,26-/m1/s1
InChIKey FRBFPXWKQCQYMN-WKYRYOBDSA-N
Molecular Weight 446.543 g/mol
SMILES C(OC(CCC\C=C\C[C@@](OC(=O)C=1C=CC=CC1)(\C=C\C=C\C=O)[H])C)(=O)C1=CC=CC=C1