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(2E)-2-(2-thenylidene)oct-3-ynoic acid methyl ester
SpectraBase Compound ID ClZJv4qIrrm
InChI InChI=1S/C14H16O2S/c1-3-4-5-6-8-12(14(15)16-2)11-13-9-7-10-17-13/h7,9-11H,3-5H2,1-2H3/b12-11+
InChIKey OFHYJOXBSKLNCF-VAWYXSNFSA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEHs78VdeS2
Name (2E)-2-(2-thenylidene)oct-3-ynoic acid methyl ester
Alternate Name(s) (2E)-2-(thiophen-2-ylmethylidene)-3-octynoic acid methyl ester Methyl (2E)-2-(2-thienylmethylene)oct-3-ynoate Methyl (2E)-2-(thiophen-2-ylmethylidene)oct-3-ynoate
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Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c1-3-4-5-6-8-12(14(15)16-2)11-13-9-7-10-17-13/h7,9-11H,3-5H2,1-2H3/b12-11+
InChIKey OFHYJOXBSKLNCF-VAWYXSNFSA-N
Molecular Weight 248.340 g/mol
SMILES c1(\C=C/(C#CCCCC)C(=O)OC)sccc1
SPLASH splash10-0002-0950000000-8597f454c80c1b075347
Source of Spectrum PS-54-147-19
Wiley ID 805181