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(2R,4S)-2-[6-(3-Methoxy-phenyl)-3-oxo-hexyl]-2,4-dimethyl-cyclopentane-1,3-dione
SpectraBase Compound ID 1u3yyDNTt1o
InChI InChI=1S/C20H26O4/c1-14-12-18(22)20(2,19(14)23)11-10-16(21)8-4-6-15-7-5-9-17(13-15)24-3/h5,7,9,13-14H,4,6,8,10-12H2,1-3H3/t14-,20+/m0/s1
InChIKey WTLYNEVUJMWKSM-VBKZILBWSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgKWsG0SrzX
Name (2R,4S)-2-[6-(3-Methoxy-phenyl)-3-oxo-hexyl]-2,4-dimethyl-cyclopentane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-14-12-18(22)20(2,19(14)23)11-10-16(21)8-4-6-15-7-5-9-17(13-15)24-3/h5,7,9,13-14H,4,6,8,10-12H2,1-3H3/t14-,20+/m0/s1
InChIKey WTLYNEVUJMWKSM-VBKZILBWSA-N
Molecular Weight 330.424 g/mol
SMILES [C@]1(C([C@@](C)(CC1=O)[H])=O)(CCC(=O)CCCc1cc(OC)ccc1)C
SPLASH splash10-001i-0900000000-84b75306be11d956aa54
Source of Spectrum QC-11-1121-10
Synonyms (2R,4S)-(+)-2-(6-m-Methoxyphenyl-3-oxohexyl)-2,4-dimethylcyclopentan-1,3-dione (2R,4S)-2-[6-(3-methoxyphenyl)-3-oxohexyl]-2,4-dimethyl-1,3-cyclopentanedione (2S,4R)-(+)-2-(6-m-Methoxyphenyl-3-oxohexyl)-2,4-dimethylcyclopentan-1,3-dione
Wiley ID 859696