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E-ARTEMIDIN;3-(1'-E-BUTENYL)-ISOCOUMARIN
SpectraBase Compound ID Cxqev1ncS98
InChI InChI=1S/C13H12O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h3-9H,2H2,1H3/b7-3+
InChIKey DHKBMMCQVXFEJY-XVNBXDOJSA-N
Mol Weight 200.24 g/mol
Molecular Formula C13H12O2
Exact Mass 200.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ejoaq3fD5RH
Name trans-Artemidin
Alternate Name(s) 3-[(E)-but-1-enyl]-2-benzopyran-1-one 3-[(E)-but-1-enyl]isochromen-1-one 3-[(E)-but-1-enyl]isocoumarin (E)-3-(but-1-en-1-yl)-1H-isochromen-1-one
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Formula C13H12O2
InChI InChI=1S/C13H12O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h3-9H,2H2,1H3/b7-3+
InChIKey DHKBMMCQVXFEJY-XVNBXDOJSA-N
Molecular Weight 200.237 g/mol
SMILES C1(OC(\C=C\CC)=Cc2c1cccc2)=O
SPLASH splash10-0uki-2950000000-cb37708769f4f6b6abe4
Source of Spectrum F-56-2544-2
Wiley ID 856582