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1-(3',4'-Dimethoxyphenyl)icosan-5-one
SpectraBase Compound ID 3tRVKzK9eZd
InChI InChI=1S/C28H48O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(29)21-18-17-19-25-22-23-27(30-2)28(24-25)31-3/h22-24H,4-21H2,1-3H3
InChIKey MGRWAFXXJQHRNO-UHFFFAOYSA-N
Mol Weight 432.7 g/mol
Molecular Formula C28H48O3
Exact Mass 432.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4IreVncA1Q
Name 1-(3',4'-Dimethoxyphenyl)icosan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O3
InChI InChI=1S/C28H48O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(29)21-18-17-19-25-22-23-27(30-2)28(24-25)31-3/h22-24H,4-21H2,1-3H3
InChIKey MGRWAFXXJQHRNO-UHFFFAOYSA-N
Molecular Weight 432.689 g/mol
SMILES c1(c(ccc(c1)CCCCC(=O)CCCCCCCCCCCCCCC)OC)OC
SPLASH splash10-0f89-0800900000-5288e1ed943cc8c4a464
Source of Spectrum H-76-1911-22
Synonyms 1-(3,4-dimethoxyphenyl)-5-icosanone
Wiley ID 1382514