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2-[(1S,3R)-1,3-dimethyl-2-methylene-cyclohexyl]-1,3-dithiane
SpectraBase Compound ID LqISBIgBqbg
InChI InChI=1S/C13H22S2/c1-10-6-4-7-13(3,11(10)2)12-14-8-5-9-15-12/h10,12H,2,4-9H2,1,3H3/t10-,13+/m1/s1
InChIKey DXKWIOCFSYVGNM-MFKMUULPSA-N
Mol Weight 242.44 g/mol
Molecular Formula C13H22S2
Exact Mass 242.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cNfzEhMxaW
Name 2-[(1S,3R)-1,3-dimethyl-2-methylene-cyclohexyl]-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22S2
InChI InChI=1S/C13H22S2/c1-10-6-4-7-13(3,11(10)2)12-14-8-5-9-15-12/h10,12H,2,4-9H2,1,3H3/t10-,13+/m1/s1
InChIKey DXKWIOCFSYVGNM-MFKMUULPSA-N
Molecular Weight 242.439 g/mol
SMILES C1([C@@](C2SCCCS2)(CCC[C@]1(C)[H])C)=C
SPLASH splash10-014i-0900000000-cd657e8ebb33d6f0b90e
Source of Spectrum K1-2001-652-2
Synonyms 2-[(1S,3R)-1,3-dimethyl-2-methylidene-cyclohexyl]-1,3-dithiane 2-[(1S,3R)-1,3-dimethyl-2-methylenecyclohexyl]-1,3-dithiane
Wiley ID 846858