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1-METHOXYCARBONYL-DIISOPHOR-2(7)-EN-3-ONE
SpectraBase Compound ID KgtZavcVMT
InChI InChI=1S/C20H30O3/c1-17(2)7-13-8-19(5)10-18(3,4)11-20(12-19,16(22)23-6)15(13)14(21)9-17/h7-12H2,1-6H3
InChIKey JOORDQYMOYYKDI-UHFFFAOYSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KhJ6TLBkmkq
Name 1-Carbomethoxy-diisophor-2(7)-en-3-one
CAS Registry Number 68269-96-5
Comments C14 AND C17 AX., C15 AND C18 EQ.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-17(2)7-13-8-19(5)10-18(3,4)11-20(12-19,16(22)23-6)15(13)14(21)9-17/h7-12H2,1-6H3
InChIKey JOORDQYMOYYKDI-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