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5-Hydroxy-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one
SpectraBase Compound ID 7MTUWHzZAGQ
InChI InChI=1S/C10H16O3/c1-6-7(2)9(3,4)10(13,5-11)8(6)12/h11,13H,5H2,1-4H3
InChIKey OFANAHGKHUSARC-UHFFFAOYSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2feC6F5rnE
Name 5-Hydroxy-5-(hydroxymethyl)-2,3,4,4-tetramethylcyclopent-2-en-1-one
Appearance Colorless syrup
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Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-6-7(2)9(3,4)10(13,5-11)8(6)12/h11,13H,5H2,1-4H3
InChIKey OFANAHGKHUSARC-UHFFFAOYSA-N
Instrument Name Micromass Autospec
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.5b00501
Molecular Weight 184.235 g/mol
Optical Rotation [a]D = -7.0 (c = 0.24, CHCl3)
Reported Formula C10H16O3
SMILES OC1(CO)C(C(=C(C1=O)C)C)(C)C
SPLASH splash10-0uk9-2900000000-3dcb19f0abee5883c80f
Source of Spectrum G4-79-265-3
Wiley ID 1849250