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2-Methyl-3-geranyl-6,7-methylenedioxy-4[1H]-quinolone
SpectraBase Compound ID FgcUD1U6bAl
InChI InChI=1S/C21H25NO3/c1-13(2)6-5-7-14(3)8-9-16-15(4)22-18-11-20-19(24-12-25-20)10-17(18)21(16)23/h6,8,10-11H,5,7,9,12H2,1-4H3,(H,22,23)/b14-8+
InChIKey AEMKHIRSKVHNFC-RIYZIHGNSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3n7RxPlkiR
Name 2-Methyl-3-geranyl-6,7-methylenedioxy-4[1H]-quinolone
Comments Computed using HOSE algorithm
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Exact Mass 339.183443666 u
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-13(2)6-5-7-14(3)8-9-16-15(4)22-18-11-20-19(24-12-25-20)10-17(18)21(16)23/h6,8,10-11H,5,7,9,12H2,1-4H3,(H,22,23)/b14-8+
InChIKey AEMKHIRSKVHNFC-RIYZIHGNSA-N
Molecular Weight 339.435 g/mol
SMILES C1=C2C(=CC3=C1NC(=C(C3=O)C\C=C\(CCC=C(C)C)C)C)OCO2