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

*Links on SpectraBase are not permalinks.
2-[8-(4-CHLOROPHENYL)-3,4-DIHYDRO-1H-PYRROLO-[2,1-C]-[1,4]-OXAZINE-6-YL]-BENZOIC-ACID
SpectraBase Compound ID L6YBmeUzrsY
InChI InChI=1S/2C20H16ClNO3/c2*21-14-7-5-13(6-8-14)17-11-18(22-9-10-25-12-19(17)22)15-3-1-2-4-16(15)20(23)24/h2*1-8,11H,9-10,12H2,(H,23,24)
InChIKey VRQMOXHXGFIEAU-UHFFFAOYSA-N
Mol Weight 707.61 g/mol
Molecular Formula C40H32Cl2N2O6
Exact Mass 706.163742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C 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 KTAdrDXb3IE
Name 2-[8-(4-CHLOROPHENYL)-3,4-DIHYDRO-1H-PYRROLO-[2,1-C]-[1,4]-OXAZINE-6-YL]-BENZOIC-ACID
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H32Cl2N2O6
InChI InChI=1S/2C20H16ClNO3/c2*21-14-7-5-13(6-8-14)17-11-18(22-9-10-25-12-19(17)22)15-3-1-2-4-16(15)20(23)24/h2*1-8,11H,9-10,12H2,(H,23,24)
InChIKey VRQMOXHXGFIEAU-UHFFFAOYSA-N
Literature Reference Author M.REISSER,G.MAAS
Literature Reference Citation J.ORG.CHEM.,69,4913(2004)
Literature Reference DOI 10.1021/jo049586o
Molecular Weight 707.610 g/mol
Solvent C5D5N
Source File Reference UWVN22063