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Cyclopentanepropane(dithioic) acid, .beta.-methyl-2-oxo-.alpha.-2-propenyl-, methyl ester
SpectraBase Compound ID CSIDaLLFo2d
InChI InChI=1S/C13H20OS2/c1-4-6-11(13(15)16-3)9(2)10-7-5-8-12(10)14/h4,9-11H,1,5-8H2,2-3H3
InChIKey OIXYQUSJZWCNBL-UHFFFAOYSA-N
Mol Weight 256.42 g/mol
Molecular Formula C13H20OS2
Exact Mass 256.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DqUiCPMi3Z
Name Cyclopentanepropane(dithioic) acid, .beta.-methyl-2-oxo-.alpha.-2-propenyl-, methyl ester
Alternate Name(s) Methyl 2-[1-(2-oxocyclopentyl)ethyl]-4-pentenedithioate
CAS Registry Number 119755-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20OS2
InChI InChI=1S/C13H20OS2/c1-4-6-11(13(15)16-3)9(2)10-7-5-8-12(10)14/h4,9-11H,1,5-8H2,2-3H3
InChIKey OIXYQUSJZWCNBL-UHFFFAOYSA-N
Molecular Weight 256.422 g/mol
SMILES C(C1C(=O)CCC1)(C(C(=S)SC)CC=C)C
SPLASH splash10-0002-0930000000-bd260c51150e7d09e701
Source of Spectrum F-44-3582-30
Wiley ID 1259548