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Acetoacetic acid, 1-isopropylcyclohexyl ester
SpectraBase Compound ID 8t8IFlIVMpZ
InChI InChI=1S/C13H22O3/c1-10(2)13(7-5-4-6-8-13)16-12(15)9-11(3)14/h10H,4-9H2,1-3H3
InChIKey PPYGBYNQVWYCML-UHFFFAOYSA-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 HwKGx5ptTuT
Name Acetoacetic acid, 1-isopropylcyclohexyl ester
CAS Registry Number 15780-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-10(2)13(7-5-4-6-8-13)16-12(15)9-11(3)14/h10H,4-9H2,1-3H3
InChIKey PPYGBYNQVWYCML-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C(OC1(C(C)C)CCCCC1)(CC(=O)C)=O
SPLASH splash10-0006-9000000000-77de74b4d2605d0ea9f7
Source of Spectrum AA-0-1608-3
Synonyms 1-Isopropylcyclohexyl acetoacetate 1-Isopropylcyclohexyl 3-oxobutanoate
Wiley ID 29976