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trans-(-)-4-tert-Butyl-1-phenyl-2,3-epoxybutane-1,4-dione
SpectraBase Compound ID J8gRJNgqfLO
InChI InChI=1S/C14H16O3/c1-14(2,3)13(16)12-11(17-12)10(15)9-7-5-4-6-8-9/h4-8,11-12H,1-3H3/t11-,12+/m0/s1
InChIKey DQLNSOIIEXELOU-NWDGAFQWSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XjzUKmq7zW
Name trans-(-)-4-tert-Butyl-1-phenyl-2,3-epoxybutane-1,4-dione
Alternate Name(s) 1-[(2R,3R)-3-benzoyloxiran-2-yl]-2,2-dimethylpropan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-14(2,3)13(16)12-11(17-12)10(15)9-7-5-4-6-8-9/h4-8,11-12H,1-3H3/t11-,12+/m0/s1
InChIKey DQLNSOIIEXELOU-NWDGAFQWSA-N
Molecular Weight 232.279 g/mol
SMILES [C@]1([C@](C(=O)c2ccccc2)(O1)[H])(C(C(C)(C)C)=O)[H]
SPLASH splash10-0002-0900000000-e7daa6cf485aad2e2f3e
Source of Spectrum PS-0-2842-37
Wiley ID 786759