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4-(2-thiophen-2-yl-1,3-dithian-2-yl)-2-oxolanone
SpectraBase Compound ID 2ONlui4yBSQ
InChI InChI=1S/C12H14O2S3/c13-11-7-9(8-14-11)12(10-3-1-4-15-10)16-5-2-6-17-12/h1,3-4,9H,2,5-8H2
InChIKey RZUKPAVOKJZTLW-UHFFFAOYSA-N
Mol Weight 286.42 g/mol
Molecular Formula C12H14O2S3
Exact Mass 286.015593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36Z6j0QlMPD
Name 4-(2-thiophen-2-yl-1,3-dithian-2-yl)-2-oxolanone
Alternate Name(s) 4-(2-thiophen-2-yl-1,3-dithian-2-yl)oxolan-2-one 4-[2-(2-thienyl)-1,3-dithian-2-yl]tetrahydrofuran-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H14O2S3
InChI InChI=1S/C12H14O2S3/c13-11-7-9(8-14-11)12(10-3-1-4-15-10)16-5-2-6-17-12/h1,3-4,9H,2,5-8H2
InChIKey RZUKPAVOKJZTLW-UHFFFAOYSA-N
Molecular Weight 286.422 g/mol
SMILES C1(C2CC(=O)OC2)(c2sccc2)SCCCS1
SPLASH splash10-0udi-0090000000-bc7b1afc1305722ecbd3
Source of Spectrum KC-0-46-3
Wiley ID 780498