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(2R,3S,5R)-2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2,5-dimethyl-3-oxidanyl-cyclopentan-1-one
SpectraBase Compound ID 9xN6syZTqLj
InChI InChI=1S/C20H28O4/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/h5,7,9,13-14,18,22H,4,6,8,10-12H2,1-3H3/t14-,18+,20-/m1/s1
InChIKey SYZDIQCWALSERC-HEFCMCLBSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XuDOWS9TDf
Name (2R,3S,5R)-2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2,5-dimethyl-3-oxidanyl-cyclopentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/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/h5,7,9,13-14,18,22H,4,6,8,10-12H2,1-3H3/t14-,18+,20-/m1/s1
InChIKey SYZDIQCWALSERC-HEFCMCLBSA-N
Molecular Weight 332.440 g/mol
SMILES O[C@@]1([C@](C([C@](C)(C1)[H])=O)(CCC(=O)CCCc1cc(OC)ccc1)C)[H]
SPLASH splash10-03e9-0913000000-420a8e7b88302794a873
Source of Spectrum QC-11-1121-14
Synonyms (2R,3S,5R)-3-hydroxy-2-[3-keto-6-(3-methoxyphenyl)hexyl]-2,5-dimethyl-cyclopentanone (2R,3S,5R)-3-hydroxy-2-[6-(3-methoxyphenyl)-3-oxo-hexyl]-2,5-dimethyl-cyclopentanone (2R,3S,5R)-3-hydroxy-2-[6-(3-methoxyphenyl)-3-oxohexyl]-2,5-dimethyl-1-cyclopentanone (2R,3S,5R)-3-hydroxy-2-[6-(3-methoxyphenyl)-3-oxohexyl]-2,5-dimethylcyclopentan-1-one
Wiley ID 859698