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

*Links on SpectraBase are not permalinks.
2-(4-Bromo-phenyl)-7a-hydroxy-3a,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3H-benzo(B)pyrrole
SpectraBase Compound ID 1kpwiiIQIH
InChI InChI=1S/C17H20BrNO2/c1-15(2)9-14(20)16(3)8-13(19-17(16,21)10-15)11-4-6-12(18)7-5-11/h4-7,21H,8-10H2,1-3H3
InChIKey QFWOPQVLEKOMEO-UHFFFAOYSA-N
Mol Weight 350.26 g/mol
Molecular Formula C17H20BrNO2
Exact Mass 349.067742 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 4dmDvwUKeL4
Name 2-(4-Bromo-phenyl)-7a-hydroxy-3a,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3H-benzo(B)pyrrole
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H20BrNO2
InChI InChI=1S/C17H20BrNO2/c1-15(2)9-14(20)16(3)8-13(19-17(16,21)10-15)11-4-6-12(18)7-5-11/h4-7,21H,8-10H2,1-3H3
InChIKey QFWOPQVLEKOMEO-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference P.N. Maini, M.P. Sammes, A.R. Katritzky, J. Chem. Soc. Perkin I 161 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3