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3-heptafluoropropyl-7-hydroxy-4-methylcoumarin
SpectraBase Compound ID 1A0BpBbJOG0
InChI InChI=1S/C13H7F7O3/c1-5-7-3-2-6(21)4-8(7)23-10(22)9(5)11(14,15)12(16,17)13(18,19)20/h2-4,21H,1H3
InChIKey BFACBVJSDXFMIY-UHFFFAOYSA-N
Mol Weight 344.18 g/mol
Molecular Formula C13H7F7O3
Exact Mass 344.028341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O7lFdnHY5P
Name 3-heptafluoropropyl-7-hydroxy-4-methylcoumarin
CAS Registry Number 137516-24-6
Comments Less than 3 mono-isotopic peaks
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Formula C13H7F7O3
InChI InChI=1S/C13H7F7O3/c1-5-7-3-2-6(21)4-8(7)23-10(22)9(5)11(14,15)12(16,17)13(18,19)20/h2-4,21H,1H3
InChIKey BFACBVJSDXFMIY-UHFFFAOYSA-N
Molecular Weight 344.185 g/mol
SMILES Oc1ccc2c(c1)OC(C(C(C(C(F)(F)F)(F)F)(F)F)=C2C)=O
SPLASH splash10-004l-0095000000-8434bb0fd3dcd63d4791
Source of Spectrum K-125-470-2
Synonyms 3-(1,1,2,2,3,3,3-heptafluoropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one
Wiley ID 1337547