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9-(4-Ethoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

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9-(4-Ethoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
SpectraBase Compound ID 5VyvsDEbRys
InChI InChI=1S/C21H22O4/c1-2-24-14-11-9-13(10-12-14)19-20-15(22)5-3-7-17(20)25-18-8-4-6-16(23)21(18)19/h9-12,19H,2-8H2,1H3
InChIKey MZTUUOYPPRWTPU-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6jO7YmdYBev
Name 9-(4-Ethoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Comments Computed using HOSE algorithm
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Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-2-24-14-11-9-13(10-12-14)19-20-15(22)5-3-7-17(20)25-18-8-4-6-16(23)21(18)19/h9-12,19H,2-8H2,1H3
InChIKey MZTUUOYPPRWTPU-UHFFFAOYSA-N
Molecular Weight 338.403 g/mol
SMILES C=12C(C=3C(=O)CCCC3OC1CCCC2=O)C1=CC=C(OCC)C=C1