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Ethyl hydrogen (E)-2-(phenylsulfanylcarbonylaminomethylene)malonate
SpectraBase Compound ID 9v8RmvYeVI0
InChI InChI=1S/C13H13NO5S/c1-2-19-12(17)10(11(15)16)8-14-13(18)20-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,18)(H,15,16)/b10-8+
InChIKey KIRNAVFAVPENLK-CSKARUKUSA-N
Mol Weight 295.31 g/mol
Molecular Formula C13H13NO5S
Exact Mass 295.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQCljaJm69g
Name Ethyl hydrogen (E)-2-(phenylsulfanylcarbonylaminomethylene)malonate
Alternate Name(s) (E)-2-ethoxycarbonyl-3-[[oxo-(phenylthio)methyl]amino]-2-propenoic acid (E)-2-ethoxycarbonyl-3-(phenylsulfanylcarbonylamino)prop-2-enoic acid
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Formula C13H13NO5S
InChI InChI=1S/C13H13NO5S/c1-2-19-12(17)10(11(15)16)8-14-13(18)20-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,18)(H,15,16)/b10-8+
InChIKey KIRNAVFAVPENLK-CSKARUKUSA-N
Molecular Weight 295.309 g/mol
SMILES N(C(Sc1ccccc1)=O)\C=C/(C(=O)O)C(=O)OCC
SPLASH splash10-08fr-0910000000-db24a174f6b28c14b7da
Source of Spectrum KC-0-3251-62
Wiley ID 826596