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4-BROMO-1-METHOXYCARBONYL-DIISOPHOR-2(7)-EN-3-ONE
SpectraBase Compound ID 9Fo5ZL7IRJV
InChI InChI=1S/C20H29BrO3/c1-17(2)9-19(5)8-12-7-18(3,4)15(21)14(22)13(12)20(10-17,11-19)16(23)24-6/h15H,7-11H2,1-6H3
InChIKey UIVGAIHXSRUQPZ-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 HSYKBVG6u9D
Name 1-Carbomethoxy-4-bromo-diisophor-2(7)-en-3-one
CAS Registry Number 92413-19-9
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)9-19(5)8-12-7-18(3,4)15(21)14(22)13(12)20(10-17,11-19)16(23)24-6/h15H,7-11H2,1-6H3
InChIKey UIVGAIHXSRUQPZ-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