| SpectraBase Compound ID | Lt20U20KgDd |
|---|---|
| InChI | InChI=1S/C26H25BrN2O3/c27-21-15-16-23(22(18-21)25(31)19-10-4-1-5-11-19)29-24(30)14-8-3-9-17-28-26(32)20-12-6-2-7-13-20/h1-2,4-7,10-13,15-16,18H,3,8-9,14,17H2,(H,28,32)(H,29,30) |
| InChIKey | YYCLXVRLACHIMP-UHFFFAOYSA-N |
| Mol Weight | 493.4 g/mol |
| Molecular Formula | C26H25BrN2O3 |
| Exact Mass | 492.104856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4bZdRo37dLB |
|---|---|
| Name | 5-Bromo-2-((5'-benzoylaminopentyl)carbonylamino)benzophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 492.104855670 u |
| Formula | C26H25BrN2O3 |
| InChI | InChI=1S/C26H25BrN2O3/c27-21-15-16-23(22(18-21)25(31)19-10-4-1-5-11-19)29-24(30)14-8-3-9-17-28-26(32)20-12-6-2-7-13-20/h1-2,4-7,10-13,15-16,18H,3,8-9,14,17H2,(H,28,32)(H,29,30) |
| InChIKey | YYCLXVRLACHIMP-UHFFFAOYSA-N |
| Molecular Weight | 493.401 g/mol |
| SMILES | C=1(C(=O)C2=CC=CC=C2)C(NC(=O)CCCCCNC(=O)C=2C=CC=CC2)=CC=C(C1)Br |