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(2R,3S)-2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2,5,5-trimethyl-3-oxidanyl-cyclopentan-1-one
SpectraBase Compound ID K1XAH9cNBP1
InChI InChI=1S/C21H30O4/c1-20(2)14-18(23)21(3,19(20)24)12-11-16(22)9-5-7-15-8-6-10-17(13-15)25-4/h6,8,10,13,18,23H,5,7,9,11-12,14H2,1-4H3/t18-,21+/m0/s1
InChIKey ZCXFLOGNWMEUND-GHTZIAJQSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGuLESl55K8
Name (2R,3S)-2-[6-(3-methoxyphenyl)-3-oxidanylidene-hexyl]-2,5,5-trimethyl-3-oxidanyl-cyclopentan-1-one
Alternate Name(s) (2R,3S)-3-hydroxy-2-[3-keto-6-(3-methoxyphenyl)hexyl]-2,5,5-trimethyl-cyclopentanone (2R,3S)-3-hydroxy-2-[6-(3-methoxyphenyl)-3-oxo-hexyl]-2,5,5-trimethyl-cyclopentanone (2R,3S)-3-hydroxy-2-[6-(3-methoxyphenyl)-3-oxohexyl]-2,5,5-trimethyl-1-cyclopentanone (2R,3S)-3-hydroxy-2-[6-(3-methoxyphenyl)-3-oxohexyl]-2,5,5-trimethylcyclopentan-1-one
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Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-20(2)14-18(23)21(3,19(20)24)12-11-16(22)9-5-7-15-8-6-10-17(13-15)25-4/h6,8,10,13,18,23H,5,7,9,11-12,14H2,1-4H3/t18-,21+/m0/s1
InChIKey ZCXFLOGNWMEUND-GHTZIAJQSA-N
Molecular Weight 346.467 g/mol
SMILES O[C@@]1([C@](C(C(C)(C)C1)=O)(CCC(=O)CCCc1cc(OC)ccc1)C)[H]
SPLASH splash10-001l-0902000000-c9ef926da9bca03ae4d2
Source of Spectrum QC-8-3056-5
Wiley ID 870240