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2-(3-Oxocyclopentyl)-2-(1,3-pentadienyl)-1,3-dithiane
SpectraBase Compound ID LMisg7eZFQz
InChI InChI=1S/C14H20OS2/c1-2-3-4-8-14(16-9-5-10-17-14)12-6-7-13(15)11-12/h2-4,8,12H,5-7,9-11H2,1H3/b3-2+,8-4+
InChIKey LXEWJBPDVCVTGK-CRBCFSCISA-N
Mol Weight 268.43 g/mol
Molecular Formula C14H20OS2
Exact Mass 268.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BVuVslYL2W
Name 2-(3-Oxocyclopentyl)-2-(1,3-pentadienyl)-1,3-dithiane
Alternate Name(s) 3-{2-[(1E,3E)-1,3-pentadienyl]-1,3-dithian-2-yl}cyclopentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS2
InChI InChI=1S/C14H20OS2/c1-2-3-4-8-14(16-9-5-10-17-14)12-6-7-13(15)11-12/h2-4,8,12H,5-7,9-11H2,1H3/b3-2+,8-4+
InChIKey LXEWJBPDVCVTGK-CRBCFSCISA-N
Molecular Weight 268.433 g/mol
SMILES C1(C2CC(=O)CC2)(SCCCS1)\C=C\C=C\C
SPLASH splash10-0a6r-5910000000-e6f2435a2729e00040c9
Source of Spectrum QA-39-437-17
Wiley ID 861458