For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl-pentafluoropropionyl mandelate
SpectraBase Compound ID 6sAfGeJsQO3
InChI InChI=1S/C12H9F5O4/c1-21-10(20)8(6-4-2-3-5-7(6)18)9(19)11(13,14)12(15,16)17/h2-5,8,18H,1H3
InChIKey CZZVMKBTUSGLLA-UHFFFAOYSA-N
Mol Weight 312.19 g/mol
Molecular Formula C12H9F5O4
Exact Mass 312.0421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 58QDcksAL2N
Name Methyl-pentafluoropropionyl mandelate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F5O4
InChI InChI=1S/C12H9F5O4/c1-21-10(20)8(6-4-2-3-5-7(6)18)9(19)11(13,14)12(15,16)17/h2-5,8,18H,1H3
InChIKey CZZVMKBTUSGLLA-UHFFFAOYSA-N
Molecular Weight 312.192 g/mol
SMILES Oc1c(C(C(C(C(F)(F)F)(F)F)=O)C(=O)OC)cccc1
SPLASH splash10-1000-1790000000-0c7b4a2f131590a88071
Source of Spectrum KO-14-203-4
Synonyms Methyl 4,4,5,5,5-pentafluoro-2-(2-hydroxyphenyl)-3-oxopentanoate Methyl-pentafluoropropionyl .alpha.-hydroxy(phenyl)acetate
Wiley ID 1312849