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a-isopropylidene-2-oxo-3-phthalimido-4-thioxo-1-azetidineacetic acid, methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

a-isopropylidene-2-oxo-3-phthalimido-4-thioxo-1-azetidineacetic acid, methyl ester
SpectraBase Compound ID JauVhKKatSy
InChI InChI=1S/C17H14N2O5S/c1-8(2)11(17(23)24-3)19-15(22)12(16(19)25)18-13(20)9-6-4-5-7-10(9)14(18)21/h4-7,12H,1-3H3
InChIKey BENFGEQPVFVZBO-UHFFFAOYSA-N
Mol Weight 358.37 g/mol
Molecular Formula C17H14N2O5S
Exact Mass 358.062343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBiMLo439Z
Name N-(1-Isopropenyl-methylacetyl)-3-phthalimido-butan-2-on-4-thione
CAS Registry Number 61222-74-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H14N2O5S
InChI InChI=1S/C17H14N2O5S/c1-8(2)11(17(23)24-3)19-15(22)12(16(19)25)18-13(20)9-6-4-5-7-10(9)14(18)21/h4-7,12H,1-3H3
InChIKey BENFGEQPVFVZBO-UHFFFAOYSA-N
Literature Reference T.S. Chou, G.A. Koppel, D.E.Dorman, J. Am. Chem. Soc. 98, 7864 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3