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Thujaplicin <alpha->
SpectraBase Compound ID JF0GtQs5GPH
InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)
InChIKey TUFYVOCKVJOUIR-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9n6GpRHU8X
Name 2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
Alternate Name(s) 2-Hydroxy-3-isopropyl-cyclohepta-2,4,6-trien-1-one 2-Hydroxy-3-propan-2-yl-1-cyclohepta-2,4,6-trienone 2-Hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one 2-Oxidanyl-3-propan-2-yl-cyclohepta-2,4,6-trien-1-one
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Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)
InChIKey TUFYVOCKVJOUIR-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
SMILES OC=1C(C(=CC=CC1)C(C)C)=O
SPLASH splash10-01ot-3900000000-b8524e83d09565782d8b
Source of Spectrum U-1996-100-2
Wiley ID 767916