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7-OXO-1-PHENYL-2-THIOXO-[1,3]-DIAZEPANE-4-CARBOXYLIC-ACID-BENZYLESTER

View entire compound with spectra: 1 NMR

7-OXO-1-PHENYL-2-THIOXO-[1,3]-DIAZEPANE-4-CARBOXYLIC-ACID-BENZYLESTER
SpectraBase Compound ID IMWSNpZgtKe
InChI InChI=1S/C19H18N2O3S/c22-17-12-11-16(18(23)24-13-14-7-3-1-4-8-14)20-19(25)21(17)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,25)
InChIKey CQOUCLLAYLCHQP-UHFFFAOYSA-N
Mol Weight 354.42 g/mol
Molecular Formula C19H18N2O3S
Exact Mass 354.103814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGqvdoCNLba
Name 7-OXO-1-PHENYL-2-THIOXO-[1,3]-DIAZEPANE-4-CARBOXYLIC-ACID-BENZYLESTER
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18N2O3S
InChI InChI=1S/C19H18N2O3S/c22-17-12-11-16(18(23)24-13-14-7-3-1-4-8-14)20-19(25)21(17)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,25)
InChIKey CQOUCLLAYLCHQP-UHFFFAOYSA-N
Literature Reference Author C.V.STEVENS,N.DIELTIENS,D.D.CLAEYS
Literature Reference Citation ORG.LETTERS,7,1117(2005)
Literature Reference DOI 10.1021/ol050050e
Molecular Weight 354.424 g/mol
Sample ID 62229
Solvent CDCl3