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Ethyl ester of .alpha.-(3,3-dimethyl-1-oxobutyl)-3-oxocyclohexaneacetic acid
SpectraBase Compound ID 7xgcQbjeqwb
InChI InChI=1S/C16H26O4/c1-5-20-15(19)14(13(18)10-16(2,3)4)11-7-6-8-12(17)9-11/h11,14H,5-10H2,1-4H3
InChIKey DFHLVRAUMUGXPG-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xFNmL1UtnM
Name Ethyl ester of .alpha.-(3,3-dimethyl-1-oxobutyl)-3-oxocyclohexaneacetic acid
CAS Registry Number 81408-09-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-5-20-15(19)14(13(18)10-16(2,3)4)11-7-6-8-12(17)9-11/h11,14H,5-10H2,1-4H3
InChIKey DFHLVRAUMUGXPG-UHFFFAOYSA-N
Molecular Weight 282.380 g/mol
SMILES C(C(CC(C)(C)C)=O)(C1CC(=O)CCC1)C(=O)OCC
SPLASH splash10-0532-9300000000-102bb6efac6c6021cb7a
Source of Spectrum J-47-2416-0
Synonyms Ethyl 5,5-dimethyl-3-oxo-2-(3-oxocyclohexyl)hexanoate
Wiley ID 1285954