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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TynVzMXbAm
Name 1-(1,3-benzodioxol-5-yl)-3,3,3-trifluoro-2-hydroxy-1-propanone
Alternate Name(s) 1-(1,3-benzodioxol-5-yl)-3,3,3-trifluoro-2-hydroxy-propan-1-one 1-(1,3-benzodioxol-5-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propan-1-one
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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
Molecular Weight 248.157 g/mol
SMILES OC(C(F)(F)F)C(c1cc2OCOc2cc1)=O
SPLASH splash10-0002-0900000000-709c527cdb61602972b1
Source of Spectrum J-66-1440-15
Wiley ID 1534553