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3-Tridecafluorohexylcoumarin

View entire compound with spectra: 1 MS (GC)

3-Tridecafluorohexylcoumarin
SpectraBase Compound ID B7Pt0NqW8z9
InChI InChI=1S/C15H5F13O2/c16-10(17,7-5-6-3-1-2-4-8(6)30-9(7)29)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-5H
InChIKey ZZCNFYFYXHWPTP-UHFFFAOYSA-N
Mol Weight 464.18 g/mol
Molecular Formula C15H5F13O2
Exact Mass 464.008196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4V6UatD83YC
Name 3-Tridecafluorohexylcoumarin
Alternate Name(s) 3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H5F13O2
InChI InChI=1S/C15H5F13O2/c16-10(17,7-5-6-3-1-2-4-8(6)30-9(7)29)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-5H
InChIKey ZZCNFYFYXHWPTP-UHFFFAOYSA-N
Molecular Weight 464.182 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C=1C(Oc2c(C1)cccc2)=O)(F)F)(F)F)(F)F
SPLASH splash10-0002-0900100000-9b3b9759d902524c8cb4
Source of Spectrum KC-0-102-3
Wiley ID 780475