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mHPA-Me-HFB

View entire compound with spectra: 1 MS (GC)

mHPA-Me-HFB
SpectraBase Compound ID 5pVrrk7rgmP
InChI InChI=1S/C13H9F7O4/c1-24-10(23)8(6-3-2-4-7(21)5-6)9(22)11(14,15)12(16,17)13(18,19)20/h2-5,8,21H,1H3
InChIKey JNJXWGBURRZNMT-UHFFFAOYSA-N
Mol Weight 362.2 g/mol
Molecular Formula C13H9F7O4
Exact Mass 362.038906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTxNiLIPVY
Name mHPA-Me-HFB
Alternate Name(s) Methyl 4,4,5,5,6,6,6-heptafluoro-2-(3-hydroxyphenyl)-3-oxohexanoate Methyl-heptafluorobutanoyl m-hydroxyphenylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9F7O4
InChI InChI=1S/C13H9F7O4/c1-24-10(23)8(6-3-2-4-7(21)5-6)9(22)11(14,15)12(16,17)13(18,19)20/h2-5,8,21H,1H3
InChIKey JNJXWGBURRZNMT-UHFFFAOYSA-N
Molecular Weight 362.200 g/mol
SMILES Oc1cc(C(C(C(C(C(F)(F)F)(F)F)(F)F)=O)C(=O)OC)ccc1
SPLASH splash10-0zfu-9104000000-4db544500c9decb97e42
Source of Spectrum KO-14-204-2
Wiley ID 1349236