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4-Methoxy-.alpha.(S),2'-dihydroxy-.beta.(S)-benzylsulfanyldihydrochalcone
SpectraBase Compound ID G4bLSusGN6G
InChI InChI=1S/C23H22O4S/c1-27-18-13-11-17(12-14-18)23(28-15-16-7-3-2-4-8-16)22(26)21(25)19-9-5-6-10-20(19)24/h2-14,22-24,26H,15H2,1H3/t22-,23-/m0/s1
InChIKey AXWHGQXWCPQKKI-GOTSBHOMSA-N
Mol Weight 394.49 g/mol
Molecular Formula C23H22O4S
Exact Mass 394.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86TqiywfDQs
Name 4-Methoxy-.alpha.(S),2'-dihydroxy-.beta.(S)-benzylsulfanyldihydrochalcone
Alternate Name(s) (2S,3S)-3-(benzylsulfanyl)-2-hydroxy-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-1-propanone 4-Methoxy-.alpha.,2'-dihydroxy-.beta.-benzylsulfanyldihydrochalcone
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Formula C23H22O4S
InChI InChI=1S/C23H22O4S/c1-27-18-13-11-17(12-14-18)23(28-15-16-7-3-2-4-8-16)22(26)21(25)19-9-5-6-10-20(19)24/h2-14,22-24,26H,15H2,1H3/t22-,23-/m0/s1
InChIKey AXWHGQXWCPQKKI-GOTSBHOMSA-N
Molecular Weight 394.485 g/mol
SMILES O[C@@](C(c1c(cccc1)O)=O)([C@@](SCc1ccccc1)(c1ccc(cc1)OC)[H])[H]
SPLASH splash10-00di-0960000000-fb7800f1f1c89e29ced3
Source of Spectrum F-53-14147-11
Wiley ID 804054