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(1S,2S)-3-(2-pentyl-3-oxocyclopentyl)-propionic acid
SpectraBase Compound ID AliUBnOWM9v
InChI InChI=1S/C13H22O3/c1-2-3-4-5-11-10(6-8-12(11)14)7-9-13(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t10-,11-/m0/s1
InChIKey IVXLMVMPAPTWBI-QWRGUYRKSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iN6TxyNavd
Name (1S,2S)-3-(2-pentyl-3-oxocyclopentyl)-propionic acid
Alternate Name(s) 3-((1S,2S)-3-oxo-2-pentylcyclopentyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-2-3-4-5-11-10(6-8-12(11)14)7-9-13(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t10-,11-/m0/s1
InChIKey IVXLMVMPAPTWBI-QWRGUYRKSA-N
Literature Reference DOI 10.1002/adsc.200600468
Molecular Weight 226.316 g/mol
SMILES OC(=O)CC[C@]1([C@@](C(CC1)=O)(CCCCC)[H])[H]
SPLASH splash10-001i-9410000000-699b35777c29c2e178ba
Source of Spectrum ASC-349-923-32
Wiley ID 1765571