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5-Benzoyl-1,3-benzodioxole

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5-Benzoyl-1,3-benzodioxole
SpectraBase Compound ID V0i4NIyEhE
InChI InChI=1S/C14H10O3/c15-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-9-16-12/h1-8H,9H2
InChIKey PXAFOQOPSOGIFE-UHFFFAOYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C14H10O3
Exact Mass 226.062994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ID5dZWtymE0
Name 5-Benzoyl-1,3-benzodioxole
CAS Registry Number 54225-86-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H10O3
InChI InChI=1S/C14H10O3/c15-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-9-16-12/h1-8H,9H2
InChIKey PXAFOQOPSOGIFE-UHFFFAOYSA-N
Instrument Name Bruker WH-270
Literature Reference A.M. Echavarren, J.K. Stille, J. Am. Chem. Soc. 110, 1557 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3