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4H-Quinolizine-4-thione, 8-(acetyloxy)octahydro-6-(3-iodo-4-methoxyphenyl)-, (6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID FwYMDYivChn
InChI InChI=1S/C18H22INO3S/c1-11(21)23-14-9-13-4-3-5-18(24)20(13)16(10-14)12-6-7-17(22-2)15(19)8-12/h6-8,13-14,16H,3-5,9-10H2,1-2H3/t13-,14-,16+/m1/s1
InChIKey LMDIIMUMUDACOU-FMKPAKJESA-N
Mol Weight 459.34 g/mol
Molecular Formula C18H22INO3S
Exact Mass 459.03651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jxWMkcAcdU
Name 4H-Quinolizine-4-thione, 8-(acetyloxy)octahydro-6-(3-iodo-4-methoxyphenyl)-, (6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
CAS Registry Number 110372-86-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22INO3S
InChI InChI=1S/C18H22INO3S/c1-11(21)23-14-9-13-4-3-5-18(24)20(13)16(10-14)12-6-7-17(22-2)15(19)8-12/h6-8,13-14,16H,3-5,9-10H2,1-2H3/t13-,14-,16+/m1/s1
InChIKey LMDIIMUMUDACOU-FMKPAKJESA-N
Molecular Weight 459.342 g/mol
SMILES [C@]1(N2[C@@](C[C@](C1)(OC(=O)C)[H])(CCCC2=S)[H])(c1cc(I)c(cc1)OC)[H]
SPLASH splash10-014i-0049400000-416de5654c1dd07ae4b1
Source of Spectrum J-52-4671-35
Synonyms (2R,4S,9aR)-4-(3-iodo-4-methoxyphenyl)-6-thioxooctahydro-2H-quinolizin-2-yl acetate (6.alpha.,8.alpha.,9a.alpha.)-(+,-)-octahydro-8-acetoxy-6-(3-iodo-4-methoxyphenyl)-4H-quinolizin-4-thione
Wiley ID 1390156