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Propanoic acid, pentafluoro-, 2-(4-hydroxy-3-methoxyphenyl)ethyl ester
SpectraBase Compound ID BFNK5oCS2GR
InChI InChI=1S/C12H11F5O4/c1-20-9-6-7(2-3-8(9)18)4-5-21-10(19)11(13,14)12(15,16)17/h2-3,6,18H,4-5H2,1H3
InChIKey ICVLCWWAWRIVPT-UHFFFAOYSA-N
Mol Weight 314.21 g/mol
Molecular Formula C12H11F5O4
Exact Mass 314.05775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kiwYHAtW3D
Name Propanoic acid, pentafluoro-, 2-(4-hydroxy-3-methoxyphenyl)ethyl ester
Alternate Name(s) 2-(4-hydroxy-3-methoxyphenyl)ethyl 2,2,3,3,3-pentafluoropropanoate
CAS Registry Number 56700-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11F5O4
InChI InChI=1S/C12H11F5O4/c1-20-9-6-7(2-3-8(9)18)4-5-21-10(19)11(13,14)12(15,16)17/h2-3,6,18H,4-5H2,1H3
InChIKey ICVLCWWAWRIVPT-UHFFFAOYSA-N
Molecular Weight 314.208 g/mol
SMILES Oc1ccc(cc1OC)CCOC(C(C(F)(F)F)(F)F)=O
SPLASH splash10-00mn-8970100000-4d7f235667fe8433c6de
Source of Spectrum W5-28180-0-0
Wiley ID 1314626