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6-(Trifluoromethyl)isobenzofuran-1(3H)-one
SpectraBase Compound ID HUaWFoOGlcY
InChI InChI=1S/C9H5F3O2/c10-9(11,12)6-2-1-5-4-14-8(13)7(5)3-6/h1-3H,4H2
InChIKey GKNSPAIMGVILDM-UHFFFAOYSA-N
Mol Weight 202.13 g/mol
Molecular Formula C9H5F3O2
Exact Mass 202.024164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZPjbYCZikK
Name 6-(Trifluoromethyl)isobenzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5F3O2
InChI InChI=1S/C9H5F3O2/c10-9(11,12)6-2-1-5-4-14-8(13)7(5)3-6/h1-3H,4H2
InChIKey GKNSPAIMGVILDM-UHFFFAOYSA-N
Molecular Weight 202.132 g/mol
SMILES C(c1cc2C(OCc2cc1)=O)(F)(F)F
SPLASH splash10-00di-0900000000-392b3254dfb1d408a294
Source of Spectrum F4-46-S14-3zr
Synonyms 6-(trifluoromethyl)-3H-isobenzofuran-1-one 6-(trifluoromethyl)-3H-2-benzofuran-1-one
Wiley ID 1742193