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VMA-Me-di-HFB

View entire compound with spectra: 1 MS (GC)

VMA-Me-di-HFB
SpectraBase Compound ID EXhnCMlU3EQ
InChI InChI=1S/C18H10F14O7/c1-38-7-4-5(2-3-6(7)33)8(34)12(37)39-9(10(35)13(19,20)15(23,24)17(27,28)29)11(36)14(21,22)16(25,26)18(30,31)32/h2-4,8-9,33-34H,1H3
InChIKey FRQWKANJOPZIOE-UHFFFAOYSA-N
Mol Weight 604.25 g/mol
Molecular Formula C18H10F14O7
Exact Mass 604.020297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4c9wMiH3pjL
Name VMA-Me-di-HFB
Alternate Name(s) 3,3,4,4,5,5,5-heptafluoro-1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2-oxopentyl hydroxy(4-hydroxy-3-methoxyphenyl)acetate Methyl-di(heptafluorobutanoyl) .alpha.-hydroxy-(3-methoxy-4-hydroxyphenyl)acetate Methyl-di(heptafluorobutanoyl) vanilmandelate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H10F14O7
InChI InChI=1S/C18H10F14O7/c1-38-7-4-5(2-3-6(7)33)8(34)12(37)39-9(10(35)13(19,20)15(23,24)17(27,28)29)11(36)14(21,22)16(25,26)18(30,31)32/h2-4,8-9,33-34H,1H3
InChIKey FRQWKANJOPZIOE-UHFFFAOYSA-N
Molecular Weight 604.249 g/mol
SMILES Oc1c(cc(C(C(OC(C(C(C(C(F)(F)F)(F)F)(F)F)=O)C(C(C(C(F)(F)F)(F)F)(F)F)=O)=O)O)cc1)OC
SPLASH splash10-00ks-3901010000-33278cea89e714ce9906
Source of Spectrum KO-14-204-9
Wiley ID 1410408