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2-Methyl-1-(N-methyl-2-oxo-2,3-dihydro-benzoxazol-6-yl)-3,3-bis(methylthio)-prop-2-en-1-one
SpectraBase Compound ID CgUp2BxSx7A
InChI InChI=1S/C14H15NO3S2/c1-8(13(19-3)20-4)12(16)9-5-6-10-11(7-9)18-14(17)15(10)2/h5-7H,1-4H3
InChIKey PPAYAKKFNIVDOR-UHFFFAOYSA-N
Mol Weight 309.4 g/mol
Molecular Formula C14H15NO3S2
Exact Mass 309.049336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6pR66hKe43
Name 2-Methyl-1-(N-methyl-2-oxo-2,3-dihydro-benzoxazol-6-yl)-3,3-bis(methylthio)-prop-2-en-1-one
CAS Registry Number 123351-59-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H15NO3S2
InChI InChI=1S/C14H15NO3S2/c1-8(13(19-3)20-4)12(16)9-5-6-10-11(7-9)18-14(17)15(10)2/h5-7H,1-4H3
InChIKey PPAYAKKFNIVDOR-UHFFFAOYSA-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