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1-(3',4'-Dimethoxyphenyl)octadecan-5-one

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

1-(3',4'-Dimethoxyphenyl)octadecan-5-one
SpectraBase Compound ID I0VhW61waNF
InChI InChI=1S/C26H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-24(27)19-16-15-17-23-20-21-25(28-2)26(22-23)29-3/h20-22H,4-19H2,1-3H3
InChIKey PJJQMONMHREDCY-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C26H44O3
Exact Mass 404.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LwwfLzgLRj
Name 1-(3',4'-Dimethoxyphenyl)octadecan-5-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O3
InChI InChI=1S/C26H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-24(27)19-16-15-17-23-20-21-25(28-2)26(22-23)29-3/h20-22H,4-19H2,1-3H3
InChIKey PJJQMONMHREDCY-UHFFFAOYSA-N
Molecular Weight 404.635 g/mol
SMILES c1(c(ccc(c1)CCCCC(=O)CCCCCCCCCCCCC)OC)OC
SPLASH splash10-0udi-0910700000-2a19d9dae0798fd55963
Source of Spectrum H-76-1911-22
Synonyms 1-(3,4-dimethoxyphenyl)-5-octadecanone
Wiley ID 1371549