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(exo)-9,10-Epithio-(octahydro)anthracene-1.beta.,5.beta.-bis(methylnosulfonate)
SpectraBase Compound ID 4FnGBQ256Rf
InChI InChI=1S/C16H20O6S3/c1-24(17,18)21-11-7-8-12(22-25(2,19)20)14-13(11)15-9-5-3-4-6-10(9)16(14)23-15/h3-6,11-16H,7-8H2,1-2H3
InChIKey IEPZISLIWLGOBB-UHFFFAOYSA-N
Mol Weight 404.51 g/mol
Molecular Formula C16H20O6S3
Exact Mass 404.042202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zggMayErOz
Name (exo)-9,10-Epithio-(octahydro)anthracene-1.beta.,5.beta.-bis(methylnosulfonate)
Alternate Name(s) (endo)-9,10-Epithio-(octahydro)anthracene-1.alpha.,5.alpha.-bis(methylsulfonate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O6S3
InChI InChI=1S/C16H20O6S3/c1-24(17,18)21-11-7-8-12(22-25(2,19)20)14-13(11)15-9-5-3-4-6-10(9)16(14)23-15/h3-6,11-16H,7-8H2,1-2H3
InChIKey IEPZISLIWLGOBB-UHFFFAOYSA-N
Molecular Weight 404.510 g/mol
SMILES C12C(C3SC2c2c3cccc2)C(OS(=O)(=O)C)CCC1OS(=O)(=O)C
SPLASH splash10-0059-0900000000-2a55046844a846800e28
Source of Spectrum D8-323-298-5
Wiley ID 1513705