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4H-Quinolizin-4-one, octahydro-8-hydroxy-6-(3-iodo-4-methoxyphenyl)-, (6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID C6srOyLBeLu
InChI InChI=1S/C16H20INO3/c1-21-15-6-5-10(7-13(15)17)14-9-12(19)8-11-3-2-4-16(20)18(11)14/h5-7,11-12,14,19H,2-4,8-9H2,1H3/t11-,12-,14+/m1/s1
InChIKey AFFAUYOVTMYSLX-BZPMIXESSA-N
Mol Weight 401.24 g/mol
Molecular Formula C16H20INO3
Exact Mass 401.048789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7JfmxAuMXV
Name 4H-Quinolizin-4-one, octahydro-8-hydroxy-6-(3-iodo-4-methoxyphenyl)-, (6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
Alternate Name(s) (6.alpha.,8.alpha.,9a.alpha.)-(+,-)-octahydro-8-hydroxy-6-(3-iodo-4-methoxyphenyl)-4H-quinolizin-4-one (6S,8R,9aR)-8-hydroxy-6-(3-iodo-4-methoxyphenyl)octahydro-4H-quinolizin-4-one
CAS Registry Number 97974-69-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20INO3
InChI InChI=1S/C16H20INO3/c1-21-15-6-5-10(7-13(15)17)14-9-12(19)8-11-3-2-4-16(20)18(11)14/h5-7,11-12,14,19H,2-4,8-9H2,1H3/t11-,12-,14+/m1/s1
InChIKey AFFAUYOVTMYSLX-BZPMIXESSA-N
Molecular Weight 401.244 g/mol
SMILES O[C@@]1(C[C@@]2(N([C@](c3cc(I)c(cc3)OC)(C1)[H])C(=O)CCC2)[H])[H]
SPLASH splash10-0udi-0012900000-3847bee077ccbb04bc40
Source of Spectrum J-52-4670-29
Wiley ID 1369890