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Methyl 4-hydroxy-6-nitro-2-(pentafluoroethyl)-4H-chromene-3-carboxylate
SpectraBase Compound ID JBQ9JGWoqRH
InChI InChI=1S/C13H8F5NO6/c1-24-11(21)8-9(20)6-4-5(19(22)23)2-3-7(6)25-10(8)12(14,15)13(16,17)18/h2-4,9,20H,1H3
InChIKey QVCGREZIICQAAV-UHFFFAOYSA-N
Mol Weight 369.2 g/mol
Molecular Formula C13H8F5NO6
Exact Mass 369.027178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLSi2XuZJrk
Name Methyl 4-hydroxy-6-nitro-2-(pentafluoroethyl)-4H-chromene-3-carboxylate
Alternate Name(s) 4-Hydroxy-6-nitro-2-(1,1,2,2,2-pentafluoroethyl)-4H-1-benzopyran-3-carboxylic acid methyl ester Methyl 4-hydroxy-6-nitro-2-(1,1,2,2,2-pentafluoroethyl)-4H-chromene-3-carboxylate Methyl 6-nitro-4-oxidanyl-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-4H-chromene-3-carboxylate
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Formula C13H8F5NO6
InChI InChI=1S/C13H8F5NO6/c1-24-11(21)8-9(20)6-4-5(19(22)23)2-3-7(6)25-10(8)12(14,15)13(16,17)18/h2-4,9,20H,1H3
InChIKey QVCGREZIICQAAV-UHFFFAOYSA-N
Molecular Weight 369.200 g/mol
SMILES OC1C(=C(C(C(F)(F)F)(F)F)Oc2ccc(N(=O)=O)cc12)C(=O)OC
SPLASH splash10-03xr-0009000000-88f0064ce075773dfa8f
Source of Spectrum F-65-9156-5i
Wiley ID 1678860