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(E)-3-(2-phenylsulfanyl-1,3-thiazol-5-yl)prop-2-enoic acid
SpectraBase Compound ID 12A4pNa11Xt
InChI InChI=1S/C12H9NO2S2/c14-11(15)7-6-10-8-13-12(17-10)16-9-4-2-1-3-5-9/h1-8H,(H,14,15)/b7-6+
InChIKey WMNCGOQJSCCHPI-VOTSOKGWSA-N
Mol Weight 263.33 g/mol
Molecular Formula C12H9NO2S2
Exact Mass 263.007471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vIGdvqPSLk
Name (E)-3-(2-phenylsulfanyl-1,3-thiazol-5-yl)prop-2-enoic acid
Alternate Name(s) (E)-3-(2-phenylsulfanylthiazol-5-yl)prop-2-enoic acid (E)-3-[2-(phenylthio)-5-thiazolyl]-2-propenoic acid (E)-3-[2-(phenylthio)thiazol-5-yl]acrylic acid
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Formula C12H9NO2S2
InChI InChI=1S/C12H9NO2S2/c14-11(15)7-6-10-8-13-12(17-10)16-9-4-2-1-3-5-9/h1-8H,(H,14,15)/b7-6+
InChIKey WMNCGOQJSCCHPI-VOTSOKGWSA-N
Molecular Weight 263.329 g/mol
SMILES OC(\C=C\c1sc(nc1)Sc1ccccc1)=O
SPLASH splash10-03di-0290000000-456dc15850b55fc313b4
Source of Spectrum F-56-814-11
Wiley ID 855817