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4-(PARA-METHYLTHIOPHENYL)-4-H-PYRROLO-[2.1-C]-[1.4]-BENZOXAZINE
SpectraBase Compound ID IIffRxVIM5b
InChI InChI=1S/C18H15NOS/c1-21-14-10-8-13(9-11-14)18-16-6-4-12-19(16)15-5-2-3-7-17(15)20-18/h2-12,18H,1H3
InChIKey FIZCEFAMTLQSNS-UHFFFAOYSA-N
Mol Weight 293.38 g/mol
Molecular Formula C18H15NOS
Exact Mass 293.087435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cn8T7KYNLho
Name 4-(PARA-METHYLTHIOPHENYL)-4-H-PYRROLO-[2.1-C]-[1.4]-BENZOXAZINE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H15NOS
InChI InChI=1S/C18H15NOS/c1-21-14-10-8-13(9-11-14)18-16-6-4-12-19(16)15-5-2-3-7-17(15)20-18/h2-12,18H,1H3
InChIKey FIZCEFAMTLQSNS-UHFFFAOYSA-N
Literature Reference Author Y.HARRAK,G.CASULA,J.BASSET,G.ROSELL,S.PLESCIA,D.RAFFA,M.G.CU SIMANO,R.POUPLANA,M.
Literature Reference Citation J.MED.CHEM.,53,6560(2010)
Literature Reference DOI 10.1021/jm100398z
Molecular Weight 293.383 g/mol
Solvent CDCl3
Source File Reference UWMZ47490