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((2-Methyl-furyl)-dideuterio-methyl).alpha.,.alpha.-benzoate
SpectraBase Compound ID KtG7MwurQy9
InChI InChI=1S/C13H12O3/c1-10-12(7-8-15-10)9-16-13(14)11-5-3-2-4-6-11/h2-8H,9H2,1H3/i9D2
InChIKey PJOZSQWUXUSUFH-KNXIQCGSSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H10D2O3
Exact Mass 218.091198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eL3EaUu4vC
Name ((2-Methyl-furyl)-dideuterio-methyl).alpha.,.alpha.-benzoate
CAS Registry Number 79204-35-6
Comments CDCL3/CS2 (1:1)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H10D2O3
InChI InChI=1S/C13H12O3/c1-10-12(7-8-15-10)9-16-13(14)11-5-3-2-4-6-11/h2-8H,9H2,1H3/i9D2
InChIKey PJOZSQWUXUSUFH-KNXIQCGSSA-N
Instrument Name Jeol FX-90
Literature Reference W.S. Trahanovsky, T.J. Cassidy, T.L.Woods, J. Am. Chem. Soc. 103, 6691 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Mixture