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2-Benzofuranacetic acid, 2,3-dihydro-3,3-dimethyl-5-nitro-

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2-Benzofuranacetic acid, 2,3-dihydro-3,3-dimethyl-5-nitro-
SpectraBase Compound ID 4tLWcKH5ajJ
InChI InChI=1S/C12H13NO5/c1-12(2)8-5-7(13(16)17)3-4-9(8)18-10(12)6-11(14)15/h3-5,10H,6H2,1-2H3,(H,14,15)
InChIKey LVNRUSNQGAFXEY-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vUvith3EFP
Name 2,3-Dihydro-3,3-dimethyl-5-nitro-2-benzofuranacetic acid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-12(2)8-5-7(13(16)17)3-4-9(8)18-10(12)6-11(14)15/h3-5,10H,6H2,1-2H3,(H,14,15)
InChIKey LVNRUSNQGAFXEY-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference T.L. Amyes, A.J. Kirby, J. Am. Chem. Soc. 110, 6305 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6