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(2S)-2-Cyclopentylmethyl-3-phenyl-1-(thien-2'-yl)propan-1-one
SpectraBase Compound ID IygCsIGNWuW
InChI InChI=1S/C19H22OS/c20-19(18-11-6-12-21-18)17(14-16-9-4-5-10-16)13-15-7-2-1-3-8-15/h1-3,6-8,11-12,16-17H,4-5,9-10,13-14H2/t17-/m1/s1
InChIKey KSYUPVHTBIFACQ-QGZVFWFLSA-N
Mol Weight 298.44 g/mol
Molecular Formula C19H22OS
Exact Mass 298.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WADmqYM5UF
Name (2S)-2-Cyclopentylmethyl-3-phenyl-1-(thien-2'-yl)propan-1-one
Comments Removed - expert review: contamination (chloroform))
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Formula C19H22OS
InChI InChI=1S/C19H22OS/c20-19(18-11-6-12-21-18)17(14-16-9-4-5-10-16)13-15-7-2-1-3-8-15/h1-3,6-8,11-12,16-17H,4-5,9-10,13-14H2/t17-/m1/s1
InChIKey KSYUPVHTBIFACQ-QGZVFWFLSA-N
Molecular Weight 298.444 g/mol
SMILES C([C@](Cc1ccccc1)(CC1CCCC1)[H])(c1sccc1)=O
SPLASH splash10-02ar-9230000000-04412fa85e7ac743f60c
Source of Spectrum F-69-799-11
Synonyms (2S)-2-benzyl-3-cyclopentyl-1-(2-thienyl)-1-propanone
Wiley ID 1594570