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4H-Quinolizine-4-thione, octahydro-6-(3-iodo-4-methoxyphenyl)-8-(phenylmethoxy)-, (6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID H1vp6FnouKH
InChI InChI=1S/C23H26INO2S/c1-26-22-11-10-17(12-20(22)24)21-14-19(27-15-16-6-3-2-4-7-16)13-18-8-5-9-23(28)25(18)21/h2-4,6-7,10-12,18-19,21H,5,8-9,13-15H2,1H3/t18-,19-,21+/m1/s1
InChIKey AHDNWPLMVSFXJS-SBHAEUEKSA-N
Mol Weight 507.43 g/mol
Molecular Formula C23H26INO2S
Exact Mass 507.072895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNn81HgR9vN
Name 4H-Quinolizine-4-thione, octahydro-6-(3-iodo-4-methoxyphenyl)-8-(phenylmethoxy)-, (6.alpha.,8.alpha.,9a.alpha.)-(.+-.)-
CAS Registry Number 97974-74-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26INO2S
InChI InChI=1S/C23H26INO2S/c1-26-22-11-10-17(12-20(22)24)21-14-19(27-15-16-6-3-2-4-7-16)13-18-8-5-9-23(28)25(18)21/h2-4,6-7,10-12,18-19,21H,5,8-9,13-15H2,1H3/t18-,19-,21+/m1/s1
InChIKey AHDNWPLMVSFXJS-SBHAEUEKSA-N
Molecular Weight 507.430 g/mol
SMILES [C@]1(N2[C@@](C[C@](C1)(OCc1ccccc1)[H])(CCCC2=S)[H])(c1cc(I)c(cc1)OC)[H]
SPLASH splash10-006x-9001730000-053a0e9a64dc4c95740f
Source of Spectrum J-52-4671-41
Synonyms (6.alpha.,8.alpha.,9a.alpha.)-(+,-)-octahydro-6-(3-iodo-4-methoxyphenyl)-8-(phenylmethoxy)-4H-quinolizin-4-thione (6S,8R,9aR)-8-(benzyloxy)-6-(3-iodo-4-methoxyphenyl)octahydro-4H-quinolizine-4-thione
Wiley ID 1400001