![benzeneacetamide, N-[2-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]phenyl]-alpha-phenyl-](/api/spectrum/CTKymoUxGWK/structure.png?h=300&w=458 "benzeneacetamide, N-[2-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]phenyl]-alpha-phenyl-")
| SpectraBase Compound ID | 8aT2zsQLkuV |
|---|---|
| InChI | InChI=1S/C27H26N4O2/c32-26(29-16-9-18-31-19-17-28-20-31)23-14-7-8-15-24(23)30-27(33)25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-15,17,19-20,25H,9,16,18H2,(H,29,32)(H,30,33) |
| InChIKey | AAZICGPBDDFZSJ-UHFFFAOYSA-N |
| Mol Weight | 438.53 g/mol |
| Molecular Formula | C27H26N4O2 |
| Exact Mass | 438.205576 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTKymoUxGWK |
|---|---|
| Name | Benzeneacetamide, N-[2-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]phenyl]-alpha-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.205576091 u |
| Formula | C27H26N4O2 |
| InChI | InChI=1S/C27H26N4O2/c32-26(29-16-9-18-31-19-17-28-20-31)23-14-7-8-15-24(23)30-27(33)25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-15,17,19-20,25H,9,16,18H2,(H,29,32)(H,30,33) |
| InChIKey | AAZICGPBDDFZSJ-UHFFFAOYSA-N |
| Molecular Weight | 438.531 g/mol |
| SMILES | N(C(C(C1=CC=CC=C1)C=1C=CC=CC1)=O)C=1C(C(=O)NCCCN2C=NC=C2)=CC=CC1 |