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2-(3,4-dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-3-hydroxypentanal
SpectraBase Compound ID ErkASpNh8wR
InChI InChI=1S/C22H28O6/c1-25-19-9-6-15(12-21(19)27-3)5-8-18(24)17(14-23)11-16-7-10-20(26-2)22(13-16)28-4/h6-7,9-10,12-14,17-18,24H,5,8,11H2,1-4H3
InChIKey MCTOAQQKGKZEAW-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhACjhzabf5
Name 2-(3,4-dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-3-hydroxypentanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-25-19-9-6-15(12-21(19)27-3)5-8-18(24)17(14-23)11-16-7-10-20(26-2)22(13-16)28-4/h6-7,9-10,12-14,17-18,24H,5,8,11H2,1-4H3
InChIKey MCTOAQQKGKZEAW-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202200868
Molecular Weight 388.460 g/mol
SMILES OC(CCc1cc(c(cc1)OC)OC)C(C=O)Cc1cc(c(cc1)OC)OC
SPLASH splash10-0ug0-0901000000-be7b8cb9e1075f650b88
Source of Spectrum CSC-15-SM37-11a
Wiley ID 1876208