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1",1"-Dimethyl-2"-propynyl 2-cyano-3-(2'-thienyl)-2-propenoate
SpectraBase Compound ID 45d1td9IZmb
InChI InChI=1S/C13H11NO2S/c1-4-13(2,3)16-12(15)10(9-14)8-11-6-5-7-17-11/h1,5-8H,2-3H3/b10-8+
InChIKey XMIJECIVUVFJSZ-CSKARUKUSA-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 Bg8o4cLBWm9
Name 1",1"-Dimethyl-2"-propynyl 2-cyano-3-(2'-thienyl)-2-propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2S
InChI InChI=1S/C13H11NO2S/c1-4-13(2,3)16-12(15)10(9-14)8-11-6-5-7-17-11/h1,5-8H,2-3H3/b10-8+
InChIKey XMIJECIVUVFJSZ-CSKARUKUSA-N
Literature Reference DOI 10.1002_(SICI)1521-4184(199803)331_3_91
Molecular Weight 245.296 g/mol
SMILES C(\C(C(OC(C)(C#C)C)=O)=C/c1sccc1)#N
SPLASH splash10-01t9-0910000000-81cdabad2488047800db
Source of Spectrum APP-331-96-17b
Synonyms 2-Methylbut-3-yn-2-yl 2-cyano-3-(thiophen-2-yl)acrylate 1,1-Dimethyl-2-propynyl (2E)-2-cyano-3-(2-thienyl)-2-propenoate (E)-2-methylbut-3-yn-2-yl 2-cyano-3-(thiophen-2-yl)acrylate
Wiley ID 1770262