| SpectraBase Compound ID | eOYJee3A69 |
|---|---|
| InChI | InChI=1S/C29H25N5O5/c1-2-3-14-39-28(37)20-10-6-7-11-22(20)33-34-25-19-9-5-4-8-17(19)15-21(26(25)35)27(36)30-18-12-13-23-24(16-18)32-29(38)31-23/h4-13,15-16,35H,2-3,14H2,1H3,(H,30,36)(H2,31,32,38)/b34-33+ |
| InChIKey | OFVRAFISISJRPV-JEIPZWNWSA-N |
| Mol Weight | 523.55 g/mol |
| Molecular Formula | C29H25N5O5 |
| Exact Mass | 523.185569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2TO5dcvqBLj |
|---|---|
| Name | 2-Aminobenzoic butylester -> 2'-hydroxy-3'-naphthoyl-5-aminobenzimidazolone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 523.185568920 u |
| Formula | C29H25N5O5 |
| InChI | InChI=1S/C29H25N5O5/c1-2-3-14-39-28(37)20-10-6-7-11-22(20)33-34-25-19-9-5-4-8-17(19)15-21(26(25)35)27(36)30-18-12-13-23-24(16-18)32-29(38)31-23/h4-13,15-16,35H,2-3,14H2,1H3,(H,30,36)(H2,31,32,38)/b34-33+ |
| InChIKey | OFVRAFISISJRPV-JEIPZWNWSA-N |
| Molecular Weight | 523.549 g/mol |
| SMILES | N1C(NC=2C=C(C=CC12)NC(C1=C(C(=C2C(=C1)C=CC=C2)\N=N\C=1C(=CC=CC1)C(OCCCC)=O)O)=O)=O |