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4H-Quinolizin-4-one, 8-(formyloxy)octahydro-6-(3-iodo-4-methoxyphenyl)-, (6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID 8c0WZ0pxVPa
InChI InChI=1S/C17H20INO4/c1-22-16-6-5-11(7-14(16)18)15-9-13(23-10-20)8-12-3-2-4-17(21)19(12)15/h5-7,10,12-13,15H,2-4,8-9H2,1H3/t12-,13-,15+/m1/s1
InChIKey RTWVSBWPEJQYLO-NFAWXSAZSA-N
Mol Weight 429.25 g/mol
Molecular Formula C17H20INO4
Exact Mass 429.043703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nQTv4D5JR4
Name 4H-Quinolizin-4-one, 8-(formyloxy)octahydro-6-(3-iodo-4-methoxyphenyl)-, (6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
CAS Registry Number 97974-67-9
Comments Less than 3 mono-isotopic peaks
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Formula C17H20INO4
InChI InChI=1S/C17H20INO4/c1-22-16-6-5-11(7-14(16)18)15-9-13(23-10-20)8-12-3-2-4-17(21)19(12)15/h5-7,10,12-13,15H,2-4,8-9H2,1H3/t12-,13-,15+/m1/s1
InChIKey RTWVSBWPEJQYLO-NFAWXSAZSA-N
Molecular Weight 429.254 g/mol
SMILES [C@]1(N2[C@@](C[C@](C1)(OC=O)[H])(CCCC2=O)[H])(c1cc(I)c(cc1)OC)[H]
SPLASH splash10-0059-0002900000-759f46cadd066ace912b
Source of Spectrum J-52-4670-28
Synonyms (2R,4S,9aR)-4-(3-iodo-4-methoxyphenyl)-6-oxooctahydro-2H-quinolizin-2-yl formate (6.alpha.,8.alpha.,9a.alpha.)-(+,-)-octahydro-8-(formyloxy)-6-(3-iodo-4-methoxyphenyl)-4H-quinolizin-4-one
Wiley ID 1381107