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(+/-)-4-Isopropyl-2-(3-oxobutyl)-cyclohexanenone
SpectraBase Compound ID HRncK8o00P0
InChI InChI=1S/C13H22O2/c1-9(2)11-6-7-13(15)12(8-11)5-4-10(3)14/h9,11-12H,4-8H2,1-3H3
InChIKey JFQURZPWUFKNHC-UHFFFAOYSA-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 H7aeCrPHbky
Name (+/-)-4-Isopropyl-2-(3-oxobutyl)-cyclohexanenone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-9(2)11-6-7-13(15)12(8-11)5-4-10(3)14/h9,11-12H,4-8H2,1-3H3
InChIKey JFQURZPWUFKNHC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19973390133
Molecular Weight 210.317 g/mol
SMILES C1C(C(CC(C1)C(C)C)CCC(C)=O)=O
SPLASH splash10-0ikg-9550000000-f9b461d1920eccb0774d
Source of Spectrum JF-399-181-(+/_)_2+3
Synonyms 4-Isopropyl-2-(3-oxobutyl)cyclohexanone
Wiley ID 1768352