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5-Hydroxy-2,4,4-trimethyl-cyclopentane-1,3-dione

View entire compound with spectra: 2 MS (GC)

5-Hydroxy-2,4,4-trimethyl-cyclopentane-1,3-dione
SpectraBase Compound ID 37Ax2NMPwMk
InChI InChI=1S/C8H12O3/c1-4-5(9)7(11)8(2,3)6(4)10/h4,7,11H,1-3H3
InChIKey IAFFANIERRTXIF-UHFFFAOYSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pxvY6HpmIV
Name 5-Hydroxy-2,4,4-trimethyl-cyclopentane-1,3-dione
Alternate Name(s) 2,4,4-trimethyl-5-oxidanyl-cyclopentane-1,3-dione 5-Hydroxy-2,4,4-trimethyl-1,3-cyclopentanedione 5-Hydroxy-2,4,4-trimethyl-cyclopentane-1,3-quinone
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Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-4-5(9)7(11)8(2,3)6(4)10/h4,7,11H,1-3H3
InChIKey IAFFANIERRTXIF-UHFFFAOYSA-N
Molecular Weight 156.181 g/mol
SMILES OC1C(C(C(=O)C1(C)C)C)=O
SPLASH splash10-0076-9100000000-de7209f7bdfdb978cb99
Wiley ID 1482621