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2-METHYL-(4,4-DIMETHYL-3-OXOPENTYL)-1,3-CYCLOHEXANEDIONE
SpectraBase Compound ID LvRl9yl8aFK
InChI InChI=1S/C14H22O3/c1-13(2,3)10(15)8-9-14(4)11(16)6-5-7-12(14)17/h5-9H2,1-4H3
InChIKey WSZHQBVOUDJAJC-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8J2Vys4KxmY
Name 2-Methyl-2-(4,4-dimethyl-3-oxopentyl)-1,3-cyclohexanedione
CAS Registry Number 137518-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-13(2,3)10(15)8-9-14(4)11(16)6-5-7-12(14)17/h5-9H2,1-4H3
InChIKey WSZHQBVOUDJAJC-UHFFFAOYSA-N
Molecular Weight 238.327 g/mol
SMILES C1(C(=O)CCCC1=O)(CCC(C(C)(C)C)=O)C
SPLASH splash10-0019-1900000000-17473564c0d67966f6db
Source of Spectrum J-57-27-7
Synonyms 2-(4,4-dimethyl-3-oxopentyl)-2-methyl-1,3-cyclohexanedione
Wiley ID 1240896