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Isobutyl 2-oxocyclohexanecarboxylate
SpectraBase Compound ID 8Y06bU2bHMH
InChI InChI=1S/C11H18O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h8-9H,3-7H2,1-2H3
InChIKey YXRGWDHDYZKMPB-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaSw2rMbJGO
Name Isobutyl 2-oxocyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h8-9H,3-7H2,1-2H3
InChIKey YXRGWDHDYZKMPB-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-3897(200006)342_6_546
Molecular Weight 198.262 g/mol
SMILES C1CC(=O)C(C(=O)OCC(C)C)CC1
SPLASH splash10-004m-0900000000-c7ce940096b00da3de0f
Source of Spectrum JF-342-548-1g
Wiley ID 1767016