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2,5-Dichloroaniline -> 2'-hydroxy-3'-naphthoyl-5-aminobenzimidazolone
SpectraBase Compound ID GbZZeNb4oMl
InChI InChI=1S/C24H15Cl2N5O3/c25-13-5-7-17(26)19(10-13)30-31-21-15-4-2-1-3-12(15)9-16(22(21)32)23(33)27-14-6-8-18-20(11-14)29-24(34)28-18/h1-11,32H,(H,27,33)(H2,28,29,34)/b31-30+
InChIKey NAEXAHVLTQKKCY-NVQSTNCTSA-N
Mol Weight 492.32 g/mol
Molecular Formula C24H15Cl2N5O3
Exact Mass 491.055195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1toYQu0vxuV
Name 2,5-Dichloroaniline -> 2'-hydroxy-3'-naphthoyl-5-aminobenzimidazolone
Comments Computed using HOSE algorithm
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Exact Mass 491.055194760 u
Formula C24H15Cl2N5O3
InChI InChI=1S/C24H15Cl2N5O3/c25-13-5-7-17(26)19(10-13)30-31-21-15-4-2-1-3-12(15)9-16(22(21)32)23(33)27-14-6-8-18-20(11-14)29-24(34)28-18/h1-11,32H,(H,27,33)(H2,28,29,34)/b31-30+
InChIKey NAEXAHVLTQKKCY-NVQSTNCTSA-N
Molecular Weight 492.322 g/mol
SMILES N1C(NC=2C=C(C=CC12)NC(C1=C(C(=C2C(=C1)C=CC=C2)\N=N\C1=CC(=CC=C1Cl)Cl)O)=O)=O