Wiley SpectraBase; SpectraBase Compound ID=HGK7Q0sofG SpectraBase Spectrum ID=EBFlth0TWLF
http://spectrabase.com/spectrum/EBFlth0TWLF (accessed Aug 12, 2020).

5-(4,4,-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2-H-BENZO-[D]-[1.3]-OXAZIN-6-YL)-1-(2-FLUOROETHYL)-1-H-PYRROLE-2-CARBONITRILE
SpectraBase Compound ID HGK7Q0sofG
InChI InChI=1S/C17H16FN3OS/c1-17(2)13-9-11(3-5-14(13)20-16(23)22-17)15-6-4-12(10-19)21(15)8-7-18/h3-6,9H,7-8H2,1-2H3,(H,20,23)
InChIKey AEEPPOVMRCWFEH-UHFFFAOYSA-N
Mol Weight 329.39 g/mol
Molecular Formula C17H16FN3OS
Exact Mass 329.099812 g/mol

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SpectraBase Spectrum ID EBFlth0TWLF
SpectraBase Batch ID 8XE1NozFC8I
Name 5-(4,4,-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2-H-BENZO-[D]-[1.3]-OXAZIN-6-YL)-1-(2-FLUOROETHYL)-1-H-PYRROLE-2-CARBONITRILE
Compound Number 5A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16FN3OS
InChI InChI=1S/C17H16FN3OS/c1-17(2)13-9-11(3-5-14(13)20-16(23)22-17)15-6-4-12(10-19)21(15)8-7-18/h3-6,9H,7-8H2,1-2H3,(H,20,23)
InChIKey AEEPPOVMRCWFEH-UHFFFAOYSA-N
Literature Reference Author H.B.ZHOU,J.H.LEE,C.G.MAYNE,K.E.CARLSON,J.A.KATZENELLENBOGEN
Literature Reference Citation J.MED.CHEM.,53,3349(2010)
Literature Reference DOI 10.1021/jm100052k
Solvent ACETONE-D6
Source File Reference UWMZ46390
SpectraBase Compound ID HGK7Q0sofG