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7,7-DIMETHYL-2,5-DIOXO-5,6,7,8-TETRAHYDRO-2H-1-BENZOPYRAN-4-ACETICACID, METHYL ESTER

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7,7-DIMETHYL-2,5-DIOXO-5,6,7,8-TETRAHYDRO-2H-1-BENZOPYRAN-4-ACETICACID, METHYL ESTER
SpectraBase Compound ID IoP5zaarpzO
InChI InChI=1S/C14H16O5/c1-14(2)6-9(15)13-8(4-11(16)18-3)5-12(17)19-10(13)7-14/h5H,4,6-7H2,1-3H3
InChIKey NGSFVNKCWBXPLJ-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C14H16O5
Exact Mass 264.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIsDAKBrjdM
Name Methyl 5,6,7,8-tetrahydro-7,7-dimethyl-5-oxocoumarin-4-yl acetate
CAS Registry Number 61062-40-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H16O5
InChI InChI=1S/C14H16O5/c1-14(2)6-9(15)13-8(4-11(16)18-3)5-12(17)19-10(13)7-14/h5H,4,6-7H2,1-3H3
InChIKey NGSFVNKCWBXPLJ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J. Oehldrich, J.M. Cook, J. Org. Chem. 42, 889 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3