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(Z)-5-Acetoxy-1,3,7-triphenyl-hept-4,6-dien-1-one

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

(Z)-5-Acetoxy-1,3,7-triphenyl-hept-4,6-dien-1-one
SpectraBase Compound ID ESSk4PwOfN5
InChI InChI=1S/C27H24O3/c1-21(28)30-26(18-17-22-11-5-2-6-12-22)19-25(23-13-7-3-8-14-23)20-27(29)24-15-9-4-10-16-24/h2-19,25H,20H2,1H3/b18-17+,26-19-
InChIKey LMSKGBNPSGFHMF-HNKVDOHHSA-N
Mol Weight 396.49 g/mol
Molecular Formula C27H24O3
Exact Mass 396.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I13Qfqp0aBF
Name (Z)-5-Acetoxy-1,3,7-triphenyl-hept-4,6-dien-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.172544630 u
Formula C27H24O3
InChI InChI=1S/C27H24O3/c1-21(28)30-26(18-17-22-11-5-2-6-12-22)19-25(23-13-7-3-8-14-23)20-27(29)24-15-9-4-10-16-24/h2-19,25H,20H2,1H3/b18-17+,26-19-
InChIKey LMSKGBNPSGFHMF-HNKVDOHHSA-N
Molecular Weight 396.486 g/mol
SMILES C1(\C=C\C(OC(=O)C)=C\C(CC(C=2C=CC=CC2)=O)C2=CC=CC=C2)=CC=CC=C1