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[2S]-2-[(1S)-1'-Hydroxy-2',2'-dimethyl-3'-phenylpropyl]-cyclopentanone
SpectraBase Compound ID Lj6X8mBZk7n
InChI InChI=1S/C16H22O2/c1-16(2,11-12-7-4-3-5-8-12)15(18)13-9-6-10-14(13)17/h3-5,7-8,13,15,18H,6,9-11H2,1-2H3/t13-,15+/m1/s1
InChIKey ZUHTXWXZOSRWEX-HIFRSBDPSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0ysKGtQAL6
Name [2S]-2-[(1S)-1'-Hydroxy-2',2'-dimethyl-3'-phenylpropyl]-cyclopentanone
Comments Less than 3 mono-isotopic peaks
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Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-16(2,11-12-7-4-3-5-8-12)15(18)13-9-6-10-14(13)17/h3-5,7-8,13,15,18H,6,9-11H2,1-2H3/t13-,15+/m1/s1
InChIKey ZUHTXWXZOSRWEX-HIFRSBDPSA-N
Molecular Weight 246.350 g/mol
SMILES O[C@](C(Cc1ccccc1)(C)C)([C@]1(C(=O)CCC1)[H])[H]
SPLASH splash10-004i-0090000000-f843b4b4d235064bba32
Source of Spectrum C-121-4175-syn-3o
Wiley ID 1702437