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8-BROMO-1-METHOXYCARBONYL-DIISOPHOR-2(7)-EN-3-ONE
SpectraBase Compound ID BYX9g1SlRUo
InChI InChI=1S/C20H29BrO3/c1-17(2)7-12-14(13(22)8-17)20(16(23)24-6)10-18(3,4)9-19(5,11-20)15(12)21/h15H,7-11H2,1-6H3
InChIKey AVBAQKHMKNTSEN-UHFFFAOYSA-N
Mol Weight 397.35 g/mol
Molecular Formula C20H29BrO3
Exact Mass 396.130008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2oRlxag6N40
Name 1-Carbomethoxy-8-bromo-diisophor-2(7)-en-3-one
CAS Registry Number 92413-20-2
Comments C14 AND C17 AX., C15 AND C18 EQ.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H29BrO3
InChI InChI=1S/C20H29BrO3/c1-17(2)7-12-14(13(22)8-17)20(16(23)24-6)10-18(3,4)9-19(5,11-20)15(12)21/h15H,7-11H2,1-6H3
InChIKey AVBAQKHMKNTSEN-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference F. Kurzer, J.N. Patel, Monatsh. Chem. 115, 825 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3