![N-{4-methyl-2-[(4-phenylbutanoyl)amino]phenyl}-4-phenylbutanamide](/api/spectrum/Fdgj3Qcty1M/structure.png?h=300&w=458 "N-{4-methyl-2-[(4-phenylbutanoyl)amino]phenyl}-4-phenylbutanamide")
| SpectraBase Compound ID | IKRccaLYcln |
|---|---|
| InChI | InChI=1S/C27H30N2O2/c1-21-18-19-24(28-26(30)16-8-14-22-10-4-2-5-11-22)25(20-21)29-27(31)17-9-15-23-12-6-3-7-13-23/h2-7,10-13,18-20H,8-9,14-17H2,1H3,(H,28,30)(H,29,31) |
| InChIKey | QNIYZABMNQIYIP-UHFFFAOYSA-N |
| Mol Weight | 414.55 g/mol |
| Molecular Formula | C27H30N2O2 |
| Exact Mass | 414.230728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fdgj3Qcty1M |
|---|---|
| Name | N-{4-Methyl-2-[(4-phenylbutanoyl)amino]phenyl}-4-phenylbutanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.230728212 u |
| Formula | C27H30N2O2 |
| InChI | InChI=1S/C27H30N2O2/c1-21-18-19-24(28-26(30)16-8-14-22-10-4-2-5-11-22)25(20-21)29-27(31)17-9-15-23-12-6-3-7-13-23/h2-7,10-13,18-20H,8-9,14-17H2,1H3,(H,28,30)(H,29,31) |
| InChIKey | QNIYZABMNQIYIP-UHFFFAOYSA-N |
| Molecular Weight | 414.549 g/mol |
| SMILES | N(C1=C(C=CC(=C1)C)NC(=O)CCCC=1C=CC=CC1)C(=O)CCCC=1C=CC=CC1 |