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4,4',6'-Trimethoxy-.alpha.,2'-dihydroxy-.beta.-benzylsulfanyldihydrochalcone

View entire compound with spectra: 1 MS (GC)

4,4',6'-Trimethoxy-.alpha.,2'-dihydroxy-.beta.-benzylsulfanyldihydrochalcone
SpectraBase Compound ID 8aqt4rUsv54
InChI InChI=1S/C25H26O6S/c1-29-18-11-9-17(10-12-18)25(32-15-16-7-5-4-6-8-16)24(28)23(27)22-20(26)13-19(30-2)14-21(22)31-3/h4-14,24-26,28H,15H2,1-3H3/t24-,25+/m0/s1
InChIKey GCAMTXDZTZCAOO-LOSJGSFVSA-N
Mol Weight 454.54 g/mol
Molecular Formula C25H26O6S
Exact Mass 454.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfZjVxWmrGH
Name 4,4',6'-Trimethoxy-.alpha.,2'-dihydroxy-.beta.-benzylsulfanyldihydrochalcone
Alternate Name(s) (2S,3R)-3-(benzylsulfanyl)-2-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-propanone 4,4,6'-Trimethoxy-.alpha.,2'-dihydroxy-.beta.-benzylsulfanyldihydrochalcone
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Formula C25H26O6S
InChI InChI=1S/C25H26O6S/c1-29-18-11-9-17(10-12-18)25(32-15-16-7-5-4-6-8-16)24(28)23(27)22-20(26)13-19(30-2)14-21(22)31-3/h4-14,24-26,28H,15H2,1-3H3/t24-,25+/m0/s1
InChIKey GCAMTXDZTZCAOO-LOSJGSFVSA-N
Molecular Weight 454.537 g/mol
SMILES O[C@@](C(c1c(cc(cc1OC)OC)O)=O)([C@](SCc1ccccc1)(c1ccc(cc1)OC)[H])[H]
SPLASH splash10-0230-0916000000-f7c70796060b6a8a1e5d
Source of Spectrum F-53-14148-14
Wiley ID 804051