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TERT.-BUTYL-4-(8-METHOXY-1-OXO-1H-ISOCHROMEN-3-YL)-3-OXO-BUTANOATE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

TERT.-BUTYL-4-(8-METHOXY-1-OXO-1H-ISOCHROMEN-3-YL)-3-OXO-BUTANOATE
SpectraBase Compound ID 7xWW5J8ijVx
InChI InChI=1S/C18H20O6/c1-18(2,3)24-15(20)10-12(19)9-13-8-11-6-5-7-14(22-4)16(11)17(21)23-13/h5-8H,9-10H2,1-4H3
InChIKey CODZTHQPJXOJSD-UHFFFAOYSA-N
Mol Weight 332.35 g/mol
Molecular Formula C18H20O6
Exact Mass 332.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHVd1y7D0Tr
Name 4-(8-Methoxy-3-isocoumarinyl)-3-oxo-butanoic acid, tert-butyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H20O6
InChI InChI=1S/C18H20O6/c1-18(2,3)24-15(20)10-12(19)9-13-8-11-6-5-7-14(22-4)16(11)17(21)23-13/h5-8H,9-10H2,1-4H3
InChIKey CODZTHQPJXOJSD-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference T.M. Harris, C.M. Harris, T.A.Oster, J. Am. Chem. Soc. 110, 6180 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3