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3-(8-Chlorohexadecafluorooctyl)coumarin

View entire compound with spectra: 1 MS (GC)

3-(8-Chlorohexadecafluorooctyl)coumarin
SpectraBase Compound ID IHCXJv2s63F
InChI InChI=1S/C17H5ClF16O2/c18-17(33,34)16(31,32)15(29,30)14(27,28)13(25,26)12(23,24)11(21,22)10(19,20)7-5-6-3-1-2-4-8(6)36-9(7)35/h1-5H
InChIKey GRSLAAAREDBASJ-UHFFFAOYSA-N
Mol Weight 580.65 g/mol
Molecular Formula C17H5ClF16O2
Exact Mass 579.972258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJqw7JDyB1k
Name 3-(8-Chlorohexadecafluorooctyl)coumarin
Alternate Name(s) 3-(8-Chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H5ClF16O2
InChI InChI=1S/C17H5ClF16O2/c18-17(33,34)16(31,32)15(29,30)14(27,28)13(25,26)12(23,24)11(21,22)10(19,20)7-5-6-3-1-2-4-8(6)36-9(7)35/h1-5H
InChIKey GRSLAAAREDBASJ-UHFFFAOYSA-N
Molecular Weight 580.652 g/mol
SMILES C(C(C(C(C(Cl)(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 splash10-0002-0900010000-bd58bd854925a74065a5
Source of Spectrum KC-0-103-3
Wiley ID 780470