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3,3'-((4-(Methylthio)phenyl)methyl)(4-hydroxy-6-methyl-2H-chromen-2-one)
SpectraBase Compound ID 7wmRGX0qabc
InChI InChI=1S/C28H22O6S/c1-14-4-10-20-18(12-14)25(29)23(27(31)33-20)22(16-6-8-17(35-3)9-7-16)24-26(30)19-13-15(2)5-11-21(19)34-28(24)32/h4-13,22,29-30H,1-3H3
InChIKey YNSJMJHAJISWCA-UHFFFAOYSA-N
Mol Weight 486.54 g/mol
Molecular Formula C28H22O6S
Exact Mass 486.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJfyRUIbGi4
Name 3,3'-((4-(Methylthio)phenyl)methyl)(4-hydroxy-6-methyl-2H-chromen-2-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22O6S
InChI InChI=1S/C28H22O6S/c1-14-4-10-20-18(12-14)25(29)23(27(31)33-20)22(16-6-8-17(35-3)9-7-16)24-26(30)19-13-15(2)5-11-21(19)34-28(24)32/h4-13,22,29-30H,1-3H3
InChIKey YNSJMJHAJISWCA-UHFFFAOYSA-N
Molecular Weight 486.538 g/mol
SMILES OC1=C(C(C2=C(c3c(OC2=O)ccc(c3)C)O)c2ccc(SC)cc2)C(Oc2c1cc(cc2)C)=O
SPLASH splash10-08gr-0985500000-d990edf07a5b4175347a
Source of Spectrum EMC-81-250-3
Synonyms 3,3'-((4-(Methylthio)phenyl)methyl)(6-methyl-2H-chromen-2-one) 3,3'-((4-(methylthio)phenyl)methylene)bis(4-hydroxy-6-methyl-2H-chromen-2-one) 4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1-benzopyran-3-yl)-[4-(methylthio)phenyl]methyl]-6-methyl-1-benzopyran-2-one 4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-(4-methylsulfanylphenyl)methyl]-6-methylchromen-2-one 4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-chromen-3-yl)-(4-methylsulfanylphenyl)methyl]-6-methyl-chromen-2-one 6-Methyl-3-[(6-methyl-4-oxidanyl-2-oxidanylidene-chromen-3-yl)-(4-methylsulfanylphenyl)methyl]-4-oxidanyl-chromen-2-one
Wiley ID 1740077