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DBYKOEFRSSLCMH-UHFFFAOYSA-N

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DBYKOEFRSSLCMH-UHFFFAOYSA-N
SpectraBase Compound ID 23rrkWn3bcC
InChI InChI=1S/C12H8O6/c1-17-12(16)8-6-4-2-3-5-7(6)11(15)18-9(8)10(13)14/h2-5H,1H3,(H,13,14)
InChIKey DBYKOEFRSSLCMH-UHFFFAOYSA-N
Mol Weight 248.19 g/mol
Molecular Formula C12H8O6
Exact Mass 248.032088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EL2EFpy6po
Name 3-Carboxy-4-methoxycarbonyl-1H-2-benzopyran-1-one
CAS Registry Number 89806-28-0
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H8O6
InChI InChI=1S/C12H8O6/c1-17-12(16)8-6-4-2-3-5-7(6)11(15)18-9(8)10(13)14/h2-5H,1H3,(H,13,14)
InChIKey DBYKOEFRSSLCMH-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference S.L. Spassov, I.A. Atanassova, Org. Magn. Resonance 22, 194 (1984).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6