| SpectraBase Compound ID | FC1KdNdMvqt |
|---|---|
| InChI | InChI=1S/C26H25N3O5/c30-24(14-8-3-9-17-27-26(32)20-12-6-2-7-13-20)28-23-16-15-21(29(33)34)18-22(23)25(31)19-10-4-1-5-11-19/h1-2,4-7,10-13,15-16,18H,3,8-9,14,17H2,(H,27,32)(H,28,30) |
| InChIKey | JTFFODSSSYSJAS-UHFFFAOYSA-N |
| Mol Weight | 459.5 g/mol |
| Molecular Formula | C26H25N3O5 |
| Exact Mass | 459.179421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7spD0OhaLdB |
|---|---|
| Name | 5-Nitro-2-((5'benzoylaminopentyl)carbonylamino)benzophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 459.179420912 u |
| Formula | C26H25N3O5 |
| InChI | InChI=1S/C26H25N3O5/c30-24(14-8-3-9-17-27-26(32)20-12-6-2-7-13-20)28-23-16-15-21(29(33)34)18-22(23)25(31)19-10-4-1-5-11-19/h1-2,4-7,10-13,15-16,18H,3,8-9,14,17H2,(H,27,32)(H,28,30) |
| InChIKey | JTFFODSSSYSJAS-UHFFFAOYSA-N |
| Molecular Weight | 459.502 g/mol |
| SMILES | C=1(C(=O)C2=CC=CC=C2)C(NC(=O)CCCCCNC(=O)C=2C=CC=CC2)=CC=C(N(=O)=O)C1 |