| SpectraBase Compound ID | 1dMZCQM2e8K |
|---|---|
| InChI | InChI=1S/C18H21NO/c1-14-2-4-15(5-3-14)8-12-18(20)13-9-16-6-10-17(19)11-7-16/h2-7,10-11H,8-9,12-13,19H2,1H3 |
| InChIKey | ZGGMYLZFKMRVKF-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 | 8JKobXWy9JN |
|---|---|
| Name | 3-Pentanone, 1-(4-aminophenyl)-5-(4-methylphenyl)- |
| 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/c1-14-2-4-15(5-3-14)8-12-18(20)13-9-16-6-10-17(19)11-7-16/h2-7,10-11H,8-9,12-13,19H2,1H3 |
| InChIKey | ZGGMYLZFKMRVKF-UHFFFAOYSA-N |
| Molecular Weight | 267.372 g/mol |
| SMILES | NC1=CC=C(CCC(CCC2=CC=C(C=C2)C)=O)C=C1 |