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3-Heptadecafluorooctylcoumarin

View entire compound with spectra: 1 MS (GC)

3-Heptadecafluorooctylcoumarin
SpectraBase Compound ID 835Ss8YGA3a
InChI InChI=1S/C17H5F17O2/c18-10(19,7-5-6-3-1-2-4-8(6)36-9(7)35)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-5H
InChIKey ZLQCSXMILQVQSF-UHFFFAOYSA-N
Mol Weight 564.2 g/mol
Molecular Formula C17H5F17O2
Exact Mass 564.001808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5V1WvQJrwxz
Name 3-Heptadecafluorooctylcoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H5F17O2
InChI InChI=1S/C17H5F17O2/c18-10(19,7-5-6-3-1-2-4-8(6)36-9(7)35)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-5H
InChIKey ZLQCSXMILQVQSF-UHFFFAOYSA-N
Molecular Weight 564.198 g/mol
SMILES C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C=1C(Oc2c(C1)cccc2)=O)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0002-0900040000-70fd3a2d2b4933bc8597
Source of Spectrum KC-0-102-3
Synonyms 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2H-chromen-2-one
Wiley ID 780473