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METHYL-2-[(4-MORPHOLINYLTHIOCARBONYL)-AMINO]-BENZOATE
SpectraBase Compound ID BMS7KsISIqj
InChI InChI=1S/C13H16N2O3S/c1-17-12(16)10-4-2-3-5-11(10)14-13(19)15-6-8-18-9-7-15/h2-5H,6-9H2,1H3,(H,14,19)
InChIKey GYPDAKCLDBDSFN-UHFFFAOYSA-N
Mol Weight 280.34 g/mol
Molecular Formula C13H16N2O3S
Exact Mass 280.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cqIB5k6TkC
Name METHYL-2-[(4-MORPHOLINYLTHIOCARBONYL)-AMINO]-BENZOATE
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N2O3S
InChI InChI=1S/C13H16N2O3S/c1-17-12(16)10-4-2-3-5-11(10)14-13(19)15-6-8-18-9-7-15/h2-5H,6-9H2,1H3,(H,14,19)
InChIKey GYPDAKCLDBDSFN-UHFFFAOYSA-N
Literature Reference Author H.G.HAECKER,F.GRUNDMANN,F.LOHR,P.A.OTTERSBACH,J.ZHOU,G.SCHNA KENBURG,M.GUETSCHOW
Literature Reference Citation MOLECULES,14,378(2009)
Literature Reference DOI 10.3390/molecules14010378
Molecular Weight 280.342 g/mol
Sample ID 69051
Solvent CDCl3