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N-(2-Oxo-2-methoxy-1-[4-oxo-5-isopropylidene-dihydro-thiaol-2-yl])-phenoxyacetamide
SpectraBase Compound ID D1u9GSTb37f
InChI InChI=1S/C17H20N2O5S/c1-10(2)13-17(22)25-15(19-13)14(16(21)23-3)18-12(20)9-24-11-7-5-4-6-8-11/h4-8,14-15,19H,9H2,1-3H3,(H,18,20)
InChIKey SEKDVTITEVDNBX-UHFFFAOYSA-N
Mol Weight 364.42 g/mol
Molecular Formula C17H20N2O5S
Exact Mass 364.109293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgKM2AiFq1L
Name N-(2-Oxo-2-methoxy-1-[4-oxo-5-isopropylidene-dihydro-thiaol-2-yl])-phenoxyacetamide
CAS Registry Number 84303-63-9
Comments ISOMER 1 WITH RESPECT TO CONFIGURATION OF C3 LOWER PPM VALUES
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H20N2O5S
InChI InChI=1S/C17H20N2O5S/c1-10(2)13-17(22)25-15(19-13)14(16(21)23-3)18-12(20)9-24-11-7-5-4-6-8-11/h4-8,14-15,19H,9H2,1-3H3,(H,18,20)
InChIKey SEKDVTITEVDNBX-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R.F. Pratt, Y.S. Surh, J.J. Shaskus, J. Am. Chem. Soc. 105, 1006 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3