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2-(3,7-diketo-4,4-dimethyl-1,2,5,6-tetrahydroinden-2-yl)acetic acid
SpectraBase Compound ID 1YTvdnLtKJw
InChI InChI=1S/C13H16O4/c1-13(2)4-3-9(14)8-5-7(6-10(15)16)12(17)11(8)13/h7H,3-6H2,1-2H3,(H,15,16)
InChIKey UDGQJBVBTOPBIQ-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cv5QcQKQZ35
Name 2-(3,7-diketo-4,4-dimethyl-1,2,5,6-tetrahydroinden-2-yl)acetic acid
Alternate Name(s) 2-(4,4-dimethyl-3,7-dioxo-1,2,5,6-tetrahydroinden-2-yl)acetic acid 2-[4,4-dimethyl-3,7-bis(oxidanylidene)-1,2,5,6-tetrahydroinden-2-yl]ethanoic acid
CAS Registry Number 59488-99-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-13(2)4-3-9(14)8-5-7(6-10(15)16)12(17)11(8)13/h7H,3-6H2,1-2H3,(H,15,16)
InChIKey UDGQJBVBTOPBIQ-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(CC1C(C=2C(CCC(C2C1)=O)(C)C)=O)=O
SPLASH splash10-02bo-6930000000-7dea6cf42a18530da98c
Wiley ID 1475375