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trans-2-Methyl-1-(4-hydroxybut-2-yl)cyclopentan-3-one
SpectraBase Compound ID BaBCK1px0qs
InChI InChI=1S/C10H18O2/c1-7(5-6-11)9-3-4-10(12)8(9)2/h7-9,11H,3-6H2,1-2H3/t7?,8-,9-/m0/s1
InChIKey KQZSHDLIISLLGY-NPPUSCPJSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNvm94yhuVC
Name trans-2-Methyl-1-(4-hydroxybut-2-yl)cyclopentan-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-7(5-6-11)9-3-4-10(12)8(9)2/h7-9,11H,3-6H2,1-2H3/t7?,8-,9-/m0/s1
InChIKey KQZSHDLIISLLGY-NPPUSCPJSA-N
Molecular Weight 170.252 g/mol
SMILES OCCC([C@]1([C@@](C(=O)CC1)(C)[H])[H])C
SPLASH splash10-0002-9000000000-5f937cdaaaa383ea7f45
Source of Spectrum J-63-2330-4
Synonyms (2R,3R)-3-((R)-3-Hydroxy-1-methyl-propyl)-2-methyl-cyclopentanone (2S,3S)-3-(3-hydroxy-1-methylpropyl)-2-methylcyclopentanone
Wiley ID 1167290