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(1'R,5'R)-2'-chloro-6-(2-iodoethyl)-5'-methoxy-7,8-dihydro-6H-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,1'-cyclohex[2]ene]
SpectraBase Compound ID HkEB1QMZ5hx
InChI InChI=1S/C18H21ClINO3/c1-22-13-2-3-17(19)18(10-13)14-9-16-15(23-11-24-16)8-12(14)4-6-21(18)7-5-20/h3,8-9,13H,2,4-7,10-11H2,1H3/t13-,18-/m1/s1
InChIKey XVCWQIHOZQYVLG-FZKQIMNGSA-N
Mol Weight 461.73 g/mol
Molecular Formula C18H21ClINO3
Exact Mass 461.025466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LaX5VeXTWw
Name (1'R,5'R)-2'-chloro-6-(2-iodoethyl)-5'-methoxy-7,8-dihydro-6H-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,1'-cyclohex[2]ene]
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Formula C18H21ClINO3
InChI InChI=1S/C18H21ClINO3/c1-22-13-2-3-17(19)18(10-13)14-9-16-15(23-11-24-16)8-12(14)4-6-21(18)7-5-20/h3,8-9,13H,2,4-7,10-11H2,1H3/t13-,18-/m1/s1
InChIKey XVCWQIHOZQYVLG-FZKQIMNGSA-N
Literature Reference DOI 10.1002/asia.200700155
Molecular Weight 461.727 g/mol
SMILES [C@]12(C[C@](OC)(CC=C2Cl)[H])c2c(cc3OCOc3c2)CCN1CCI
SPLASH splash10-005c-8093800000-681d9b30271157f7dd1d
Source of Spectrum CAJ-2-1135-21
Wiley ID 1774576