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Benzeneoctanal, 2,3,6-tris(acetyloxy)-5-methoxy-
SpectraBase Compound ID EUlfwcmduj8
InChI InChI=1S/C21H28O8/c1-14(23)27-19-13-18(26-4)20(28-15(2)24)17(21(19)29-16(3)25)11-9-7-5-6-8-10-12-22/h12-13H,5-11H2,1-4H3
InChIKey RDCWIWCJGBIMEY-UHFFFAOYSA-N
Mol Weight 408.45 g/mol
Molecular Formula C21H28O8
Exact Mass 408.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqYAr5HjvF
Name Benzeneoctanal, 2,3,6-tris(acetyloxy)-5-methoxy-
CAS Registry Number 123707-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O8
InChI InChI=1S/C21H28O8/c1-14(23)27-19-13-18(26-4)20(28-15(2)24)17(21(19)29-16(3)25)11-9-7-5-6-8-10-12-22/h12-13H,5-11H2,1-4H3
InChIKey RDCWIWCJGBIMEY-UHFFFAOYSA-N
Molecular Weight 408.447 g/mol
SMILES c1(c(c(OC(=O)C)cc(c1OC(=O)C)OC)OC(=O)C)CCCCCCCC=O
SPLASH splash10-001i-0091000000-58cc4a90f30590463b89
Source of Spectrum KC-1990-1432-16
Synonyms 2,4-bis(acetyloxy)-5-methoxy-3-(8-oxooctyl)phenyl acetate 8-(2,3,6-Triacetoxy-5-methoxyphenyl)octanal
Wiley ID 1372875