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3-[(2R,3S)-3-ethyloxiran-2-yl]isochromen-1-one
SpectraBase Compound ID JXfFo5QDdyk
InChI InChI=1S/C13H12O3/c1-2-10-12(15-10)11-7-8-5-3-4-6-9(8)13(14)16-11/h3-7,10,12H,2H2,1H3/t10-,12+/m0/s1
InChIKey VNEONZFLGNRQJT-CMPLNLGQSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEte34FXv2R
Name (-)-(1R,2S)-3-(1,2-epoxybutyl)-1H-2-benzopyran-1-one
Alternate Name(s) (-)-(R,S)-Epoxyartemidin
Appearance Colorless oil
Carrier Gas Helium
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Formula C13H12O3
GC Oven Program Oven temp 250oC
InChI InChI=1S/C13H12O3/c1-2-10-12(15-10)11-7-8-5-3-4-6-9(8)13(14)16-11/h3-7,10,12H,2H2,1H3/t10-,12+/m0/s1
InChIKey VNEONZFLGNRQJT-CMPLNLGQSA-N
Instrument Name Perkin-Elmer GC Autosystem XL
Ionization Type EI
Literature Reference DOI 10.1021/np0301339
Molecular Weight 216.236 g/mol
Optical Rotation [a]D20 = -10 (c = 0.2 in EtOH)
Reported Formula C13H12O3
SMILES c1cc2c(cc1)C(OC(=C2)[C@]1([C@](CC)(O1)[H])[H])=O
SPLASH splash10-0a59-1900000000-8476e8d9b19f6bed9886
Source of Spectrum G4-67-24-6a
Wiley ID 1881506