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1-(1,3-benzodioxol-5-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
SpectraBase Compound ID 6VqXIw96IB
InChI InChI=1S/C10H7F3O4/c11-10(12,13)9(15)8(14)5-1-2-6-7(3-5)17-4-16-6/h1-3,9,15H,4H2
InChIKey HBRNXILNGWBKII-UHFFFAOYSA-N
Mol Weight 248.16 g/mol
Molecular Formula C10H7F3O4
Exact Mass 248.029643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3VD8vU8x4f
Name 1-(1,3-benzodioxol-5-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
Compound Number 15J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7F3O4
InChI InChI=1S/C10H7F3O4/c11-10(12,13)9(15)8(14)5-1-2-6-7(3-5)17-4-16-6/h1-3,9,15H,4H2
InChIKey HBRNXILNGWBKII-UHFFFAOYSA-N
Literature Reference Author R.P.SINGH,J.M.LEITCH,B.TWAMLEY,J.M.SHREEVE
Literature Reference Citation J.ORG.CHEM.,66,1436(2001)
Literature Reference DOI 10.1021/jo0057304
Molecular Weight 248.158 g/mol
Solvent CDCl3
Source File Reference UWMS25921