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1-Benzyl-2,5-dimethoxy-4-(2,5-dimethoxy-.alpha.-hydroxybenzyl)-2,5-cyclohexadiene-1-carboxaldehyde
SpectraBase Compound ID COvViNmZhES
InChI InChI=1S/C25H28O6/c1-28-18-10-11-21(29-2)19(12-18)24(27)20-13-23(31-4)25(16-26,15-22(20)30-3)14-17-8-6-5-7-9-17/h5-13,15-16,20,24,27H,14H2,1-4H3/t20-,24+,25+/m1/s1
InChIKey RPHJTMKMNMTCTL-YNJKOYDBSA-N
Mol Weight 424.49 g/mol
Molecular Formula C25H28O6
Exact Mass 424.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8rpwdNOkly
Name 1-Benzyl-2,5-dimethoxy-4-(2,5-dimethoxy-.alpha.-hydroxybenzyl)-2,5-cyclohexadiene-1-carboxaldehyde
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-28-18-10-11-21(29-2)19(12-18)24(27)20-13-23(31-4)25(16-26,15-22(20)30-3)14-17-8-6-5-7-9-17/h5-13,15-16,20,24,27H,14H2,1-4H3/t20-,24+,25+/m1/s1
InChIKey RPHJTMKMNMTCTL-YNJKOYDBSA-N
Molecular Weight 424.493 g/mol
SMILES O[C@@](c1c(ccc(c1)OC)OC)([C@@]1(C=C(OC)[C@](C=C1OC)(Cc1ccccc1)C=O)[H])[H]
SPLASH splash10-014i-0900000000-f2f6650230eb504cf6e1
Source of Spectrum J-62-4648-18
Synonyms (1R,4S)-1-Benzyl-4-[(R)-(2,5-dimethoxy-phenyl)-hydroxy-methyl]-2,5-dimethoxy-cyclohexa-2,5-dienecarbaldehyde 1-benzyl-4-[(2,5-dimethoxyphenyl)(hydroxy)methyl]-2,5-dimethoxy-2,5-cyclohexadiene-1-carbaldehyde (1R,4S)-4-[(R)-(2,5-dimethoxyphenyl)-hydroxymethyl]-2,5-dimethoxy-1-(phenylmethyl)-1-cyclohexa-2,5-dienecarboxaldehyde (1R,4S)-1-benzyl-4-[(R)-(2,5-dimethoxyphenyl)-hydroxymethyl]-2,5-dimethoxycyclohexa-2,5-diene-1-carbaldehyde (1R,4S)-4-[(R)-(2,5-dimethoxyphenyl)-oxidanyl-methyl]-2,5-dimethoxy-1-(phenylmethyl)cyclohexa-2,5-diene-1-carbaldehyde
Wiley ID 1379362