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2,6-Octadienal, 6-[(acetyloxy)methyl]-8-[2,5-bis(acetyloxy)phenyl]-2-methyl-, (E,Z)-
SpectraBase Compound ID GB2DN5kZl5h
InChI InChI=1S/C22H26O7/c1-15(13-23)6-5-7-19(14-27-16(2)24)8-9-20-12-21(28-17(3)25)10-11-22(20)29-18(4)26/h6,8,10-13H,5,7,9,14H2,1-4H3/b15-6+,19-8-
InChIKey PTFRLNDWAMMBFM-FJPJAHSRSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GJfu4rN3Ux
Name 2,6-Octadienal, 6-[(acetyloxy)methyl]-8-[2,5-bis(acetyloxy)phenyl]-2-methyl-, (E,Z)-
CAS Registry Number 85563-99-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-15(13-23)6-5-7-19(14-27-16(2)24)8-9-20-12-21(28-17(3)25)10-11-22(20)29-18(4)26/h6,8,10-13H,5,7,9,14H2,1-4H3/b15-6+,19-8-
InChIKey PTFRLNDWAMMBFM-FJPJAHSRSA-N
Molecular Weight 402.443 g/mol
SMILES c1(c(cc(OC(=O)C)cc1)C\C=C/(COC(=O)C)CC\C=C\(C=O)C)OC(=O)C
SPLASH splash10-0006-9501000000-08df7e0b45c4f92d1cd2
Source of Spectrum KC-1983-43-0
Synonyms 4-(acetyloxy)-2-{(2Z,6E)-3-[(acetyloxy)methyl]-7-methyl-8-oxo-2,6-octadienyl}phenyl acetate 8-(2,5-Diacetoxyphenyl)-6-acetoxy-methyl-2-methylocta-2,6-dienal Cordallinal triacetate
Wiley ID 1370351