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(+/-)-3-(2-Oxopropyl)-2-pentylcyclopentanone
SpectraBase Compound ID IzAvLj5Fwfo
InChI InChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3/t11-,12-/m0/s1
InChIKey PMVDYAQAPLAXSY-RYUDHWBXSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKZPkIPW2mP
Name (+/-)-3-(2-Oxopropyl)-2-pentylcyclopentanone
Alternate Name(s) trans-Magnolione (2S,3S)-3-(2-oxopropyl)-2-pentylcyclopentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10(2)14)7-8-13(12)15/h11-12H,3-9H2,1-2H3/t11-,12-/m0/s1
InChIKey PMVDYAQAPLAXSY-RYUDHWBXSA-N
Literature Reference DOI 10.1002/adsc.201800299
Molecular Weight 210.317 g/mol
SMILES C(=O)(C[C@]1([C@@](C(CC1)=O)(CCCCC)[H])[H])C
SPLASH splash10-0udi-0900000000-496c2316fe798c00bdca
Source of Spectrum ASC-360-3685-28
Wiley ID 1812106