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2-Methyl-3-(N-methyl-2-thioxo-2,3-dihydro-benzoxazol-6-yl)-3-methylthio-prop-2-en-dithioic acid, methyl ester
SpectraBase Compound ID IDICDZ2CACl
InChI InChI=1S/C14H15NOS4/c1-8(13(17)20-4)12(19-3)9-5-6-10-11(7-9)16-14(18)15(10)2/h5-7H,1-4H3/b12-8-
InChIKey PBZSMWFVNSVIJI-WQLSENKSSA-N
Mol Weight 341.5 g/mol
Molecular Formula C14H15NOS4
Exact Mass 341.003649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Ts7vllVqP4
Name 2-Methyl-3-(N-methyl-2-thioxo-2,3-dihydro-benzoxazol-6-yl)-3-methylthio-prop-2-en-dithioic acid, methyl ester
Comments isomer 2
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Formula C14H15NOS4
InChI InChI=1S/C14H15NOS4/c1-8(13(17)20-4)12(19-3)9-5-6-10-11(7-9)16-14(18)15(10)2/h5-7H,1-4H3/b12-8-
InChIKey PBZSMWFVNSVIJI-WQLSENKSSA-N
Instrument Name Bruker WP-80
Literature Reference C. Vaccher, P. Berthelot, M. Debaert, Magn. Res. Chem. 27, 498 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3