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3-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-4-oxopentanoic acid
SpectraBase Compound ID 4EnLAvhjC6l
InChI InChI=1S/C13H18O5/c1-7(14)8(4-11(17)18)12-9(15)5-13(2,3)6-10(12)16/h8,15H,4-6H2,1-3H3,(H,17,18)
InChIKey JSHYQFFZRQCDTK-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwmXKqpftw
Name 3-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-4-oxopentanoic acid
Alternate Name(s) 3-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-4-oxopentanoic acid 3-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-4-oxo-pentanoic acid 3-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-4-keto-valeric acid 3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-4-oxidanylidene-pentanoic acid Pentanoic acid, 3-(3-hydroxy-5,5-dimethyl-1-oxo-2-cyclohexenyl)-4-oxo-
CAS Registry Number 93647-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-7(14)8(4-11(17)18)12-9(15)5-13(2,3)6-10(12)16/h8,15H,4-6H2,1-3H3,(H,17,18)
InChIKey JSHYQFFZRQCDTK-UHFFFAOYSA-N
Molecular Weight 254.282 g/mol
SMILES OC1=C(C(CC(=O)O)C(=O)C)C(CC(C1)(C)C)=O
SPLASH splash10-00kf-6900000000-f66c666807246b149239
Wiley ID 1455761