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(+/-)-4'-(2-CHLOROETHYLCARBAMATE)-3',4'-DIHYDROSESELIN
SpectraBase Compound ID 9RoZ0uLSa2V
InChI InChI=1S/C17H18ClNO5/c1-17(2)9-12(22-16(21)19-8-7-18)14-11(24-17)5-3-10-4-6-13(20)23-15(10)14/h3-6,12H,7-9H2,1-2H3,(H,19,21)
InChIKey VUOWJZIEEDUWJC-UHFFFAOYSA-N
Mol Weight 351.79 g/mol
Molecular Formula C17H18ClNO5
Exact Mass 351.08735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwLePdePhbf
Name (+/-)-4'-(2-CHLOROETHYLCARBAMATE)-3',4'-DIHYDROSESELIN
Compound Number 22
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Formula C17H18ClNO5
InChI InChI=1S/C17H18ClNO5/c1-17(2)9-12(22-16(21)19-8-7-18)14-11(24-17)5-3-10-4-6-13(20)23-15(10)14/h3-6,12H,7-9H2,1-2H3,(H,19,21)
InChIKey VUOWJZIEEDUWJC-UHFFFAOYSA-N
Literature Reference Author P.MAGIATIS,E.MELLIOU,A.L.SKALTSOUNIS,S.MITAKU,S.LEONCE,P.REN ARD,A.PIERRE,G.ATASS
Literature Reference Citation J.NAT.PROD.,61,982(1998)
Literature Reference DOI 10.1021/np9800295
Molecular Weight 351.787 g/mol
Solvent CDCl3
Source File Reference UWRK3432