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2-Carbomethoxy-10,11-(3-bromo-benzo)-bicyclo(5.4.0)undec-6-en-3-one
SpectraBase Compound ID 5MkbWXyZeqw
InChI InChI=1S/C17H17BrO3/c1-21-17(20)16-14(19)4-2-3-10-5-6-11-9-12(18)7-8-13(11)15(10)16/h3,7-9,15-16H,2,4-6H2,1H3
InChIKey LPPZSOCQERQHMC-UHFFFAOYSA-N
Mol Weight 349.22 g/mol
Molecular Formula C17H17BrO3
Exact Mass 348.036107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ISnYBCaOjuV
Name 2-Carbomethoxy-10,11-(3-bromo-benzo)-bicyclo(5.4.0)undec-6-en-3-one
CAS Registry Number 79975-98-7
Comments MINOR ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H17BrO3
InChI InChI=1S/C17H17BrO3/c1-21-17(20)16-14(19)4-2-3-10-5-6-11-9-12(18)7-8-13(11)15(10)16/h3,7-9,15-16H,2,4-6H2,1H3
InChIKey LPPZSOCQERQHMC-UHFFFAOYSA-N
Instrument Name Jeol FX-200
Literature Reference B.M. Trost, T.A. Runge, J. Am. Chem. Soc. 103, 7559 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Benzene-D6