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1-Acetyl-5-bromoindoline-2,3-dione, 3-[(2,4-dinitrophenyl)hydrazone
SpectraBase Compound ID 1TqLlOLlfbq
InChI InChI=1S/C16H10BrN5O6/c1-8(23)20-13-5-2-9(17)6-11(13)15(16(20)24)19-18-12-4-3-10(21(25)26)7-14(12)22(27)28/h2-7,18H,1H3/b19-15-
InChIKey TZIWRXPVJHNMNK-CYVLTUHYSA-N
Mol Weight 448.19 g/mol
Molecular Formula C16H10BrN5O6
Exact Mass 446.981446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qiE70vsC5A
Name 1-Acetyl-5-bromoindoline-2,3-dione, 3-[(2,4-dinitrophenyl)hydrazone
Comments Computed using HOSE algorithm
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Exact Mass 446.981446056 u
Formula C16H10BrN5O6
InChI InChI=1S/C16H10BrN5O6/c1-8(23)20-13-5-2-9(17)6-11(13)15(16(20)24)19-18-12-4-3-10(21(25)26)7-14(12)22(27)28/h2-7,18H,1H3/b19-15-
InChIKey TZIWRXPVJHNMNK-CYVLTUHYSA-N
Molecular Weight 448.189 g/mol
SMILES N(C=1C=CC(=CC1N(=O)=O)N(=O)=O)\N=C\1C=2C=C(Br)C=CC2N(C1=O)C(C)=O