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4,4-[1,2-Ethanediylbis(thio)]-2-(hydroxymethylene)-cyclohexanone
SpectraBase Compound ID FuVEJOkUCqm
InChI InChI=1S/C9H12O2S2/c10-6-7-5-9(2-1-8(7)11)12-3-4-13-9/h6,10H,1-5H2/b7-6-
InChIKey HWXJRPQAYOLYRM-SREVYHEPSA-N
Mol Weight 216.31 g/mol
Molecular Formula C9H12O2S2
Exact Mass 216.027872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7igcJPmALT
Name 4,4-[1,2-Ethanediylbis(thio)]-2-(hydroxymethylene)-cyclohexanone
CAS Registry Number 94250-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2S2
InChI InChI=1S/C9H12O2S2/c10-6-7-5-9(2-1-8(7)11)12-3-4-13-9/h6,10H,1-5H2/b7-6-
InChIKey HWXJRPQAYOLYRM-SREVYHEPSA-N
Molecular Weight 216.313 g/mol
SMILES O\C=C/1C(=O)CCC2(C1)SCCS2
SPLASH splash10-014i-7910000000-c780f1e805cd4fd0a28c
Source of Spectrum J-50-444-11
Synonyms (7Z)-7-(hydroxymethylene)-1,4-dithiaspiro[4.5]decan-8-one
Wiley ID 1215028