For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-CYANO-5-[4-(3-FLUOROPROPYL)-4-METHYL-2-OXO-1,4-DIHYDRO-2-H-BENZO-[D]-[1.3]-OXAZIN-6-YL]-PYRROLE-1-CARBOXYLIC-ACID-TERT.-BUTYLESTER

View entire compound with spectra: 1 NMR

2-CYANO-5-[4-(3-FLUOROPROPYL)-4-METHYL-2-OXO-1,4-DIHYDRO-2-H-BENZO-[D]-[1.3]-OXAZIN-6-YL]-PYRROLE-1-CARBOXYLIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID 4ArUtAzwtf5
InChI InChI=1S/C22H24FN3O4/c1-21(2,3)30-20(28)26-15(13-24)7-9-18(26)14-6-8-17-16(12-14)22(4,10-5-11-23)29-19(27)25-17/h6-9,12H,5,10-11H2,1-4H3,(H,25,27)
InChIKey DOXOASAWUJVCFD-UHFFFAOYSA-N
Mol Weight 413.45 g/mol
Molecular Formula C22H24FN3O4
Exact Mass 413.175084 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID K34AxJvz66x
Name 2-CYANO-5-[4-(3-FLUOROPROPYL)-4-METHYL-2-OXO-1,4-DIHYDRO-2-H-BENZO-[D]-[1.3]-OXAZIN-6-YL]-PYRROLE-1-CARBOXYLIC-ACID-TERT.-BUTYLESTER
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24FN3O4
InChI InChI=1S/C22H24FN3O4/c1-21(2,3)30-20(28)26-15(13-24)7-9-18(26)14-6-8-17-16(12-14)22(4,10-5-11-23)29-19(27)25-17/h6-9,12H,5,10-11H2,1-4H3,(H,25,27)
InChIKey DOXOASAWUJVCFD-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 UWMZ46394