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3-Cyano-4-(thiophen-2-ylvinyl)-5,5-dimethyl-2(5H)-furanone
SpectraBase Compound ID LBS7avuvvNX
InChI InChI=1S/C13H11NO2S/c1-13(2)11(10(8-14)12(15)16-13)6-5-9-4-3-7-17-9/h3-7H,1-2H3/b6-5+
InChIKey NKQDMRBSVVAOQG-AATRIKPKSA-N
Mol Weight 245.3 g/mol
Molecular Formula C13H11NO2S
Exact Mass 245.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2NGKQ93M4b
Name 3-Cyano-4-(thiophen-2-ylvinyl)-5,5-dimethyl-2(5H)-furanone
Alternate Name(s) 3-Cyano-4-(2-(thiophen-2-yl)vinyl)-5,5-dimethyl-2(5H)-furanone 5,5-Dimethyl-2-oxo-4-[1-(2-thienyl)vinyl]-2,5-dihydro-3-furancarbonitrile
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Formula C13H11NO2S
InChI InChI=1S/C13H11NO2S/c1-13(2)11(10(8-14)12(15)16-13)6-5-9-4-3-7-17-9/h3-7H,1-2H3/b6-5+
InChIKey NKQDMRBSVVAOQG-AATRIKPKSA-N
Molecular Weight 245.296 g/mol
SMILES C1(=C(C(C)(C)OC1=O)\C=C\c1sccc1)C#N
SPLASH splash10-052f-9540000000-d66f253c34452e35a8ae
Source of Spectrum CV-0-180-5
Wiley ID 848964