![N-{-[.alpha.-(Isopropylcarbonyl)methyl]benzyl}-aniline](/api/spectrum/6H9adTyWrIe/structure.png?h=300&w=458 "N-{-[.alpha.-(Isopropylcarbonyl)methyl]benzyl}-aniline")
| SpectraBase Compound ID | JUl6zdnLENl |
|---|---|
| InChI | InChI=1S/C18H21NO/c1-14(2)18(20)13-17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-12,14,17,19H,13H2,1-2H3 |
| InChIKey | PGNZAIQKUPUIHS-UHFFFAOYSA-N |
| Mol Weight | 267.37 g/mol |
| Molecular Formula | C18H21NO |
| Exact Mass | 267.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6H9adTyWrIe |
|---|---|
| Name | N-{-[alpha-(isopropylcarbonyl)methyl]benzyl}-aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.162314299 u |
| Formula | C18H21NO |
| InChI | InChI=1S/C18H21NO/c1-14(2)18(20)13-17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-12,14,17,19H,13H2,1-2H3 |
| InChIKey | PGNZAIQKUPUIHS-UHFFFAOYSA-N |
| Molecular Weight | 267.372 g/mol |
| SMILES | C(C(NC=1C=CC=CC1)C=1C=CC=CC1)C(=O)C(C)C |