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3-methyl-7-nitro-4-(2,2,2-trifluoro-1-oxoethyl)-3a,8b-dihydro-1H-pyrrolo[2,3-b]indol-2-one
SpectraBase Compound ID HNTTrqgvptz
InChI InChI=1S/C13H10F3N3O4/c1-17-10(20)5-8-7-4-6(19(22)23)2-3-9(7)18(11(8)17)12(21)13(14,15)16/h2-4,8,11H,5H2,1H3
InChIKey CGVHHXVUDLAIRC-UHFFFAOYSA-N
Mol Weight 329.24 g/mol
Molecular Formula C13H10F3N3O4
Exact Mass 329.06234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqZOzNxYEav
Name 3-methyl-7-nitro-4-(2,2,2-trifluoro-1-oxoethyl)-3a,8b-dihydro-1H-pyrrolo[2,3-b]indol-2-one
Alternate Name(s) 3-methyl-7-nitro-4-(2,2,2-trifluoroacetyl)-3a,8b-dihydro-1H-pyrrolo[2,3-b]indol-2-one 3-methyl-7-nitro-4-(2,2,2-trifluoroacetyl)-3a,8b-dihydro-1H-pyrrol[2,3-b]indol-2-one 3-methyl-7-nitro-4-[2,2,2-tris(fluoranyl)ethanoyl]-3a,8b-dihydro-1H-pyrrolo[2,3-b]indol-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H10F3N3O4
InChI InChI=1S/C13H10F3N3O4/c1-17-10(20)5-8-7-4-6(19(22)23)2-3-9(7)18(11(8)17)12(21)13(14,15)16/h2-4,8,11H,5H2,1H3
InChIKey CGVHHXVUDLAIRC-UHFFFAOYSA-N
Molecular Weight 329.235 g/mol
SMILES C12N(c3ccc(cc3C2CC(N1C)=O)N(=O)=O)C(=O)C(F)(F)F
SPLASH splash10-01t9-0049000000-f44ba5a554cbb6daab78
Source of Spectrum E1-38-2635-13
Wiley ID 1518464