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8-Indolizinol, 3,5,6,7,8,8a-hexahydro-1-(phenylthio)-, acetate(ester), cis-(.+-.)-
SpectraBase Compound ID Hdp4bXRGCbX
InChI InChI=1S/C16H19NO2S/c1-12(18)19-14-8-5-10-17-11-9-15(16(14)17)20-13-6-3-2-4-7-13/h2-4,6-7,9,14,16H,5,8,10-11H2,1H3/t14-,16-/m0/s1
InChIKey ZHNNLZLVSOZSLE-HOCLYGCPSA-N
Mol Weight 289.39 g/mol
Molecular Formula C16H19NO2S
Exact Mass 289.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRj5LQlWVdg
Name 8-Indolizinol, 3,5,6,7,8,8a-hexahydro-1-(phenylthio)-, acetate(ester), cis-(.+-.)-
CAS Registry Number 128845-39-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO2S
InChI InChI=1S/C16H19NO2S/c1-12(18)19-14-8-5-10-17-11-9-15(16(14)17)20-13-6-3-2-4-7-13/h2-4,6-7,9,14,16H,5,8,10-11H2,1H3/t14-,16-/m0/s1
InChIKey ZHNNLZLVSOZSLE-HOCLYGCPSA-N
Molecular Weight 289.393 g/mol
SMILES C=1([C@]2(N(CCC[C@@]2(OC(=O)C)[H])CC1)[H])Sc1ccccc1
SPLASH splash10-00dl-8920000000-d697333afeda025aa526
Source of Spectrum J-55-5730-56
Synonyms (8R(*),8R(*))-3,5,6,7,8,8a-hexahydro-1-(phenylthio)-8-acetoxyindolizine (8S,8aS)-1-(phenylsulfanyl)-3,5,6,7,8,8a-hexahydro-8-indolizinyl acetate
Wiley ID 1292613