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3-(heptafluoropropyl)-7-(diethylamino)-4-(trifluoromethyl)coumarin
SpectraBase Compound ID Gj2yOIrQrR9
InChI InChI=1S/C17H13F10NO2/c1-3-28(4-2)8-5-6-9-10(7-8)30-13(29)12(11(9)15(20,21)22)14(18,19)16(23,24)17(25,26)27/h5-7H,3-4H2,1-2H3
InChIKey CZRCWCGOGZTRHS-UHFFFAOYSA-N
Mol Weight 453.28 g/mol
Molecular Formula C17H13F10NO2
Exact Mass 453.07866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcSUmv4sN6K
Name 3-(heptafluoropropyl)-7-(diethylamino)-4-(trifluoromethyl)coumarin
CAS Registry Number 133721-33-2
Comments Less than 3 mono-isotopic peaks
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Formula C17H13F10NO2
InChI InChI=1S/C17H13F10NO2/c1-3-28(4-2)8-5-6-9-10(7-8)30-13(29)12(11(9)15(20,21)22)14(18,19)16(23,24)17(25,26)27/h5-7H,3-4H2,1-2H3
InChIKey CZRCWCGOGZTRHS-UHFFFAOYSA-N
Molecular Weight 453.280 g/mol
SMILES C1(C(C(C(F)(F)F)(F)F)(F)F)=C(C(F)(F)F)c2ccc(cc2OC1=O)N(CC)CC
SPLASH splash10-000i-0000900000-5e09f1366c7751b44330
Source of Spectrum K-125-470-2
Synonyms 7-(diethylamino)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-2H-chromen-2-one
Wiley ID 1388448