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1-Bromo-4-isopropenylnaphthalene, compound with 2,4,7-trinitrofluoren-9-one

View entire compound with spectra: 2 NMR, and 1 FTIR

1-Bromo-4-isopropenylnaphthalene, compound with 2,4,7-trinitrofluoren-9-one
SpectraBase Compound ID 51GGTFX6Ram
InChI InChI=1S/C13H11Br.C13H5N3O7/c1-9(2)10-7-8-13(14)12-6-4-3-5-11(10)12;17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h3-8H,1H2,2H3;1-5H
InChIKey FQHMQNXHRGTEQY-UHFFFAOYSA-N
Mol Weight 562.33 g/mol
Molecular Formula C26H16BrN3O7
Exact Mass 561.017163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPtIRxkyALp
Name 1-Bromo-4-isopropenylnaphthalene, compound with 2,4,7-trinitrofluoren-9-one
Comments Computed using HOSE algorithm
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Exact Mass 561.017162860 u
Formula C26H16BrN3O7
InChI InChI=1S/C13H11Br.C13H5N3O7/c1-9(2)10-7-8-13(14)12-6-4-3-5-11(10)12;17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h3-8H,1H2,2H3;1-5H
InChIKey FQHMQNXHRGTEQY-UHFFFAOYSA-N
Molecular Weight 562.332 g/mol
SMILES N(=O)(=O)C=1C=CC=2C=3C(=CC(=CC3C(C2C1)=O)N(=O)=O)N(=O)=O.C=12C=CC=CC1C(=CC=C2Br)C(=C)C