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(2S)-1,2-bis(3,4-dimethoxyphenyl)-3-methyl-1-butanone
SpectraBase Compound ID 7fZa08mr6lJ
InChI InChI=1S/C21H26O5/c1-13(2)20(14-7-9-16(23-3)18(11-14)25-5)21(22)15-8-10-17(24-4)19(12-15)26-6/h7-13,20H,1-6H3/t20-/m0/s1
InChIKey KYBMXDQCEZQLOY-FQEVSTJZSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gBuZYLwQxy
Name (2S)-1,2-bis(3,4-dimethoxyphenyl)-3-methyl-1-butanone
Comments Less than 3 mono-isotopic peaks
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Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-13(2)20(14-7-9-16(23-3)18(11-14)25-5)21(22)15-8-10-17(24-4)19(12-15)26-6/h7-13,20H,1-6H3/t20-/m0/s1
InChIKey KYBMXDQCEZQLOY-FQEVSTJZSA-N
Molecular Weight 358.434 g/mol
SMILES c1([C@@](C(c2cc(OC)c(cc2)OC)=O)(C(C)C)[H])cc(OC)c(cc1)OC
SPLASH splash10-014i-0900000000-36afa1af30b17e182bed
Source of Spectrum J-64-4615-4
Synonyms (2S)-1,2-bis(3,4-dimethoxyphenyl)-3-methyl-butan-1-one
Wiley ID 1530458