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2,3,5,6,8,9-Hexahydro-17H-thioxantheno[2,3-b][1,4,7,10]tetraoxacyclododecin-17-one
SpectraBase Compound ID BDKy8Vve55S
InChI InChI=1S/C19H18O5S/c20-19-13-3-1-2-4-17(13)25-18-12-16-15(11-14(18)19)23-9-7-21-5-6-22-8-10-24-16/h1-4,11-12H,5-10H2
InChIKey BRXOVSRQNUNREE-UHFFFAOYSA-N
Mol Weight 358.41 g/mol
Molecular Formula C19H18O5S
Exact Mass 358.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BqWo7zDavv
Name 2,3,5,6,8,9-Hexahydro-17H-thioxantheno[2,3-b][1,4,7,10]tetraoxacyclododecin-17-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O5S
InChI InChI=1S/C19H18O5S/c20-19-13-3-1-2-4-17(13)25-18-12-16-15(11-14(18)19)23-9-7-21-5-6-22-8-10-24-16/h1-4,11-12H,5-10H2
InChIKey BRXOVSRQNUNREE-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.d01
Molecular Weight 358.408 g/mol
SMILES c12cc3C(c4ccccc4Sc3cc2OCCOCCOCCO1)=O
SPLASH splash10-0a4i-9210000000-06396f1115b3742ba930
Source of Spectrum ARK-2007-5-3b
Wiley ID 1868827