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4H-Quinolizin-4-one, 8-(acetyloxy)octahydro-6-(3-iodo-4-methoxyphenyl)-, (6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID F3mEpGrneDW
InChI InChI=1S/C18H22INO4/c1-11(21)24-14-9-13-4-3-5-18(22)20(13)16(10-14)12-6-7-17(23-2)15(19)8-12/h6-8,13-14,16H,3-5,9-10H2,1-2H3/t13-,14-,16+/m1/s1
InChIKey DBMFVWQWMJUEKN-FMKPAKJESA-N
Mol Weight 443.28 g/mol
Molecular Formula C18H22INO4
Exact Mass 443.059353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjzVFKVAR4f
Name 4H-Quinolizin-4-one, 8-(acetyloxy)octahydro-6-(3-iodo-4-methoxyphenyl)-, (6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
Alternate Name(s) (2R,4S,9aR)-4-(3-iodo-4-methoxyphenyl)-6-oxooctahydro-2H-quinolizin-2-yl acetate (6.alpha.,8.alpha.,9a.alpha.)-(+,-)-octahydro-8-acetoxy-6-(3-iodo-4-methoxyphenyl)-4H-quinolizin-4-one
CAS Registry Number 110372-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22INO4
InChI InChI=1S/C18H22INO4/c1-11(21)24-14-9-13-4-3-5-18(22)20(13)16(10-14)12-6-7-17(23-2)15(19)8-12/h6-8,13-14,16H,3-5,9-10H2,1-2H3/t13-,14-,16+/m1/s1
InChIKey DBMFVWQWMJUEKN-FMKPAKJESA-N
Molecular Weight 443.281 g/mol
SMILES [C@]1(N2[C@@](C[C@](C1)(OC(=O)C)[H])(CCCC2=O)[H])(c1cc(I)c(cc1)OC)[H]
SPLASH splash10-0536-0039700000-b21dc1c1ed139a44029b
Source of Spectrum J-52-4670-34
Wiley ID 1385682